data_25819 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25819 _Entry.PDB_ID 2N7S save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 25819 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PRO HA H 2 4.277 4.277 5.203 -0.926 25819 2 1 1 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.611 -1.391 25819 3 1 1 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.946 -1.530 25819 4 1 1 . 1 1 3 3 ALA N N 3 123.804 123.804 122.990 0.814 25819 5 1 1 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.550 -0.344 25819 6 1 1 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.370 0.025 25819 7 1 1 . 1 1 3 3 ALA CB C 3 18.840 18.840 21.137 -2.297 25819 8 1 1 . 1 1 3 3 ALA H H 3 8.647 8.647 8.227 0.420 25819 9 1 1 . 1 1 4 4 ALA N N 4 124.058 124.058 122.267 1.791 25819 10 1 1 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.833 -0.124 25819 11 1 1 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.470 -1.448 25819 12 1 1 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.362 -0.465 25819 13 1 1 . 1 1 4 4 ALA H H 4 8.239 8.239 8.392 -0.153 25819 14 1 1 . 1 1 5 5 LEU N N 5 124.018 124.018 123.001 1.017 25819 15 1 1 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.829 -0.457 25819 16 1 1 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.832 -1.824 25819 17 1 1 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.205 -0.963 25819 18 1 1 . 1 1 5 5 LEU H H 5 8.560 8.560 8.651 -0.091 25819 19 1 1 . 1 1 6 6 VAL N N 6 123.357 123.357 115.295 8.062 25819 20 1 1 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.189 -0.092 25819 21 1 1 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.160 0.180 25819 22 1 1 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.982 -1.034 25819 23 1 1 . 1 1 6 6 VAL H H 6 9.119 9.119 8.123 0.996 25819 24 1 1 . 1 1 7 7 SER N N 7 112.137 112.137 113.238 -1.101 25819 25 1 1 . 1 1 7 7 SER HA H 7 4.445 4.445 4.687 -0.242 25819 26 1 1 . 1 1 7 7 SER CA C 7 56.349 56.349 57.524 -1.175 25819 27 1 1 . 1 1 7 7 SER CB C 7 64.361 64.361 65.979 -1.618 25819 28 1 1 . 1 1 7 7 SER H H 7 7.680 7.680 7.502 0.178 25819 29 1 1 . 1 1 8 8 ILE N N 8 118.674 118.674 117.335 1.339 25819 30 1 1 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.194 -0.521 25819 31 1 1 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.247 -0.101 25819 32 1 1 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.480 -0.805 25819 33 1 1 . 1 1 8 8 ILE H H 8 8.354 8.354 8.115 0.239 25819 34 1 1 . 1 1 9 9 SER N N 9 121.319 121.319 120.541 0.778 25819 35 1 1 . 1 1 9 9 SER HA H 9 4.863 4.863 4.843 0.020 25819 36 1 1 . 1 1 9 9 SER CA C 9 55.381 55.381 57.544 -2.163 25819 37 1 1 . 1 1 9 9 SER CB C 9 64.243 64.243 63.150 1.093 25819 38 1 1 . 1 1 9 9 SER H H 9 9.028 9.028 8.620 0.408 25819 39 1 1 . 1 1 10 10 VAL N N 10 127.509 127.509 122.200 5.309 25819 40 1 1 . 1 1 10 10 VAL HA H 10 5.050 5.050 5.160 -0.110 25819 41 1 1 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.718 1.194 25819 42 1 1 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.235 -0.848 25819 43 1 1 . 1 1 10 10 VAL H H 10 8.911 8.911 8.311 0.600 25819 44 1 1 . 1 1 11 11 SER N N 11 121.860 121.860 120.995 0.865 25819 45 1 1 . 1 1 11 11 SER CB C 11 64.373 64.373 62.837 1.536 25819 46 1 1 . 1 1 11 11 SER H H 11 9.206 9.206 8.939 0.267 25819 47 1 1 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.824 -0.120 25819 48 1 1 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.749 -1.850 25819 49 1 1 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.743 1.346 25819 50 1 1 . 1 1 13 13 THR N N 13 116.137 116.137 117.259 -1.122 25819 51 1 1 . 1 1 13 13 THR HA H 13 4.770 4.770 4.431 0.339 25819 52 1 1 . 1 1 13 13 THR CA C 13 60.153 60.153 61.704 -1.551 25819 53 1 1 . 1 1 13 13 THR CB C 13 69.426 69.426 70.111 -0.685 25819 54 1 1 . 1 1 13 13 THR H H 13 8.679 8.679 8.382 0.297 25819 55 1 1 . 1 1 14 14 ASN N N 14 124.457 124.457 124.076 0.381 25819 56 1 1 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.926 -0.231 25819 57 1 1 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.114 1.014 25819 58 1 1 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.294 -1.701 25819 59 1 1 . 1 1 14 14 ASN H H 14 8.710 8.710 8.709 0.001 25819 60 1 1 . 1 1 15 15 SER N N 15 113.673 113.673 115.970 -2.297 25819 61 1 1 . 1 1 15 15 SER HA H 15 4.648 4.648 4.547 0.101 25819 62 1 1 . 1 1 15 15 SER CA C 15 55.644 55.644 57.136 -1.492 25819 63 1 1 . 1 1 15 15 SER CB C 15 63.953 63.953 65.462 -1.508 25819 64 1 1 . 1 1 15 15 SER H H 15 9.127 9.127 7.375 1.752 25819 65 1 1 . 1 1 16 16 THR N N 16 113.579 113.579 115.832 -2.253 25819 66 1 1 . 1 1 16 16 THR HA H 16 4.976 4.976 4.860 0.116 25819 67 1 1 . 1 1 16 16 THR CA C 16 58.445 58.445 60.570 -2.125 25819 68 1 1 . 1 1 16 16 THR CB C 16 70.534 70.534 70.004 0.530 25819 69 1 1 . 1 1 16 16 THR H H 16 7.962 7.962 8.132 -0.170 25819 70 1 1 . 1 1 17 17 VAL N N 17 121.479 121.479 121.330 0.149 25819 71 1 1 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.534 -0.214 25819 72 1 1 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.395 0.542 25819 73 1 1 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.603 -0.199 25819 74 1 1 . 1 1 17 17 VAL H H 17 7.969 7.969 8.807 -0.838 25819 75 1 1 . 1 1 18 18 ALA N N 18 126.014 126.014 125.277 0.737 25819 76 1 1 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.263 -0.088 25819 77 1 1 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.538 -0.575 25819 78 1 1 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.380 -0.458 25819 79 1 1 . 1 1 18 18 ALA H H 18 7.756 7.756 8.253 -0.497 25819 80 1 1 . 1 1 19 19 LYS N N 19 119.741 119.741 122.367 -2.626 25819 81 1 1 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.002 -0.515 25819 82 1 1 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.603 0.168 25819 83 1 1 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.472 -0.870 25819 84 1 1 . 1 1 19 19 LYS H H 19 7.892 7.892 8.091 -0.199 25819 85 1 1 . 1 1 20 20 GLY N N 20 116.709 116.709 113.198 3.511 25819 86 1 1 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.014 -1.251 25819 87 1 1 . 1 1 20 20 GLY H H 20 8.615 8.615 8.708 -0.093 25819 88 1 1 . 1 1 21 21 LEU N N 21 123.004 123.004 124.209 -1.205 25819 89 1 1 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.530 0.058 25819 90 1 1 . 1 1 21 21 LEU CA C 21 53.365 53.365 55.016 -1.651 25819 91 1 1 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.875 -4.913 25819 92 1 1 . 1 1 21 21 LEU H H 21 8.013 8.013 7.840 0.173 25819 93 1 1 . 1 1 22 22 GLN N N 22 117.503 117.503 122.448 -4.945 25819 94 1 1 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.235 -0.107 25819 95 1 1 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.873 -0.204 25819 96 1 1 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.283 -1.369 25819 97 1 1 . 1 1 22 22 GLN H H 22 8.223 8.223 8.351 -0.128 25819 98 1 1 . 1 1 23 23 GLU N N 23 118.126 118.126 119.689 -1.563 25819 99 1 1 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.616 -0.053 25819 100 1 1 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.897 -2.030 25819 101 1 1 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.462 -0.588 25819 102 1 1 . 1 1 23 23 GLU H H 23 8.188 8.188 8.625 -0.437 25819 103 1 1 . 1 1 24 24 ASN N N 24 125.841 125.841 121.210 4.631 25819 104 1 1 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.961 -0.183 25819 105 1 1 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.431 -0.919 25819 106 1 1 . 1 1 24 24 ASN CB C 24 39.746 39.746 38.975 0.771 25819 107 1 1 . 1 1 24 24 ASN H H 24 9.390 9.390 8.470 0.920 25819 108 1 1 . 1 1 25 25 PHE N N 25 122.824 122.824 122.200 0.624 25819 109 1 1 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.483 0.168 25819 110 1 1 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.173 -0.050 25819 111 1 1 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.410 -3.351 25819 112 1 1 . 1 1 25 25 PHE H H 25 8.061 8.061 8.735 -0.674 25819 113 1 1 . 1 1 26 26 LYS N N 26 119.114 119.114 122.401 -3.287 25819 114 1 1 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.798 0.446 25819 115 1 1 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.652 -2.676 25819 116 1 1 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.768 -2.107 25819 117 1 1 . 1 1 26 26 LYS H H 26 9.255 9.255 8.844 0.411 25819 118 1 1 . 1 1 27 27 ALA N N 27 125.583 125.583 128.081 -2.498 25819 119 1 1 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.651 -0.389 25819 120 1 1 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.138 -2.321 25819 121 1 1 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.236 -1.076 25819 122 1 1 . 1 1 27 27 ALA H H 27 9.120 9.120 8.643 0.477 25819 123 1 1 . 1 1 28 28 THR HA H 28 4.837 4.837 4.742 0.095 25819 124 1 1 . 1 1 28 28 THR CA C 28 60.566 60.566 61.351 -0.785 25819 125 1 1 . 1 1 28 28 THR CB C 28 69.478 69.478 71.028 -1.550 25819 126 1 1 . 1 1 28 28 THR H H 28 9.062 9.062 8.379 0.683 25819 127 1 1 . 1 1 29 29 GLY N N 29 115.789 115.789 113.841 1.948 25819 128 1 1 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.909 0.407 25819 129 1 1 . 1 1 29 29 GLY H H 29 9.662 9.662 9.043 0.619 25819 130 1 1 . 1 1 30 30 ILE N N 30 123.084 123.084 122.936 0.148 25819 131 1 1 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.453 0.325 25819 132 1 1 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.315 -0.926 25819 133 1 1 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.628 -4.745 25819 134 1 1 . 1 1 30 30 ILE H H 30 7.914 7.914 8.461 -0.547 25819 135 1 1 . 1 1 31 31 PHE N N 31 125.209 125.209 123.623 1.586 25819 136 1 1 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.920 0.450 25819 137 1 1 . 1 1 31 31 PHE CA C 31 56.487 56.487 57.120 -0.633 25819 138 1 1 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.842 -0.689 25819 139 1 1 . 1 1 31 31 PHE H H 31 8.316 8.316 8.259 0.057 25819 140 1 1 . 1 1 32 32 THR N N 32 113.842 113.842 116.643 -2.801 25819 141 1 1 . 1 1 32 32 THR HA H 32 4.404 4.404 4.105 0.299 25819 142 1 1 . 1 1 32 32 THR CA C 32 64.157 64.157 64.921 -0.764 25819 143 1 1 . 1 1 32 32 THR CB C 32 68.540 68.540 68.875 -0.335 25819 144 1 1 . 1 1 32 32 THR H H 32 9.335 9.335 8.774 0.561 25819 145 1 1 . 1 1 33 33 ASP N N 33 118.799 118.799 120.070 -1.271 25819 146 1 1 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.694 -0.073 25819 147 1 1 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.343 -1.380 25819 148 1 1 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.346 -1.852 25819 149 1 1 . 1 1 33 33 ASP H H 33 7.689 7.689 8.306 -0.617 25819 150 1 1 . 1 1 34 34 ASN N N 34 112.993 112.993 113.938 -0.945 25819 151 1 1 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.356 -0.008 25819 152 1 1 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.549 -0.203 25819 153 1 1 . 1 1 34 34 ASN CB C 34 36.490 36.490 37.207 -0.717 25819 154 1 1 . 1 1 34 34 ASN H H 34 8.370 8.370 7.951 0.419 25819 155 1 1 . 1 1 35 35 SER N N 35 115.543 115.543 115.175 0.368 25819 156 1 1 . 1 1 35 35 SER HA H 35 4.413 4.413 4.643 -0.230 25819 157 1 1 . 1 1 35 35 SER CA C 35 57.882 57.882 57.897 -0.015 25819 158 1 1 . 1 1 35 35 SER CB C 35 63.770 63.770 63.831 -0.061 25819 159 1 1 . 1 1 35 35 SER H H 35 7.990 7.990 8.068 -0.078 25819 160 1 1 . 1 1 36 36 ASN N N 36 116.051 116.051 125.327 -9.276 25819 161 1 1 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.461 -2.787 25819 162 1 1 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.247 1.552 25819 163 1 1 . 1 1 36 36 ASN H H 36 8.518 8.518 8.645 -0.127 25819 164 1 1 . 1 1 37 37 SER N N 37 113.191 113.191 117.079 -3.888 25819 165 1 1 . 1 1 37 37 SER HA H 37 4.715 4.715 4.774 -0.059 25819 166 1 1 . 1 1 37 37 SER CA C 37 56.801 56.801 57.334 -0.533 25819 167 1 1 . 1 1 37 37 SER CB C 37 64.872 64.872 66.808 -1.936 25819 168 1 1 . 1 1 37 37 SER H H 37 8.667 8.667 9.312 -0.645 25819 169 1 1 . 1 1 38 38 ASP N N 38 123.961 123.961 121.921 2.040 25819 170 1 1 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.751 0.236 25819 171 1 1 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.679 0.522 25819 172 1 1 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.156 -1.227 25819 173 1 1 . 1 1 38 38 ASP H H 38 8.848 8.848 8.541 0.307 25819 174 1 1 . 1 1 39 39 ILE N N 39 121.217 121.217 115.786 5.431 25819 175 1 1 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.808 1.063 25819 176 1 1 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.016 -2.309 25819 177 1 1 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.612 1.474 25819 178 1 1 . 1 1 39 39 ILE H H 39 8.815 8.815 8.343 0.472 25819 179 1 1 . 1 1 40 40 THR N N 40 122.868 122.868 116.284 6.584 25819 180 1 1 . 1 1 40 40 THR HA H 40 4.288 4.288 4.050 0.238 25819 181 1 1 . 1 1 40 40 THR CB C 40 68.527 68.527 69.092 -0.565 25819 182 1 1 . 1 1 40 40 THR H H 40 8.679 8.679 8.389 0.290 25819 183 1 1 . 1 1 41 41 ASP N N 41 114.082 114.082 118.854 -4.772 25819 184 1 1 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.709 -1.011 25819 185 1 1 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.180 -0.702 25819 186 1 1 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.739 -2.021 25819 187 1 1 . 1 1 41 41 ASP H H 41 8.539 8.539 8.553 -0.014 25819 188 1 1 . 1 1 42 42 GLN N N 42 117.086 117.086 117.499 -0.413 25819 189 1 1 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.117 0.034 25819 190 1 1 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.988 -0.452 25819 191 1 1 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.709 3.507 25819 192 1 1 . 1 1 42 42 GLN H H 42 7.718 7.718 7.648 0.070 25819 193 1 1 . 1 1 43 43 VAL N N 43 109.916 109.916 121.222 -11.306 25819 194 1 1 . 1 1 43 43 VAL HA H 43 4.089 4.089 3.822 0.267 25819 195 1 1 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.006 -4.166 25819 196 1 1 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.204 -0.931 25819 197 1 1 . 1 1 43 43 VAL H H 43 6.902 6.902 8.087 -1.185 25819 198 1 1 . 1 1 44 44 THR N N 44 116.273 116.273 125.971 -9.698 25819 199 1 1 . 1 1 44 44 THR HA H 44 4.315 4.315 4.511 -0.196 25819 200 1 1 . 1 1 44 44 THR CA C 44 61.651 61.651 62.834 -1.183 25819 201 1 1 . 1 1 44 44 THR CB C 44 68.890 68.890 69.453 -0.563 25819 202 1 1 . 1 1 44 44 THR H H 44 8.787 8.787 7.672 1.115 25819 203 1 1 . 1 1 45 45 TRP N N 45 132.098 132.098 127.264 4.834 25819 204 1 1 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.828 0.417 25819 205 1 1 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.460 -1.073 25819 206 1 1 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.968 -0.891 25819 207 1 1 . 1 1 45 45 TRP H H 45 10.351 10.351 8.444 1.907 25819 208 1 1 . 1 1 46 46 ASP N N 46 121.897 121.897 122.404 -0.507 25819 209 1 1 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.978 -0.121 25819 210 1 1 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.731 -0.934 25819 211 1 1 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.452 0.623 25819 212 1 1 . 1 1 46 46 ASP H H 46 9.471 9.471 8.858 0.613 25819 213 1 1 . 1 1 47 47 SER N N 47 113.803 113.803 118.563 -4.760 25819 214 1 1 . 1 1 47 47 SER HA H 47 5.043 5.043 5.222 -0.179 25819 215 1 1 . 1 1 47 47 SER CA C 47 53.059 53.059 56.744 -3.685 25819 216 1 1 . 1 1 47 47 SER CB C 47 64.880 64.880 64.840 0.040 25819 217 1 1 . 1 1 47 47 SER H H 47 8.502 8.502 8.605 -0.103 25819 218 1 1 . 1 1 48 48 SER N N 48 119.614 119.614 119.014 0.600 25819 219 1 1 . 1 1 48 48 SER HA H 48 4.264 4.264 4.161 0.103 25819 220 1 1 . 1 1 48 48 SER CA C 48 59.404 59.404 60.325 -0.921 25819 221 1 1 . 1 1 48 48 SER CB C 48 62.026 62.026 63.443 -1.417 25819 222 1 1 . 1 1 48 48 SER H H 48 8.517 8.517 8.733 -0.216 25819 223 1 1 . 1 1 49 49 ASN N N 49 118.259 118.259 116.803 1.456 25819 224 1 1 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.679 0.219 25819 225 1 1 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.951 -1.110 25819 226 1 1 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.633 -0.913 25819 227 1 1 . 1 1 49 49 ASN H H 49 7.816 7.816 8.185 -0.369 25819 228 1 1 . 1 1 50 50 THR N N 50 119.289 119.289 117.765 1.524 25819 229 1 1 . 1 1 50 50 THR HA H 50 4.541 4.541 4.439 0.102 25819 230 1 1 . 1 1 50 50 THR CA C 50 62.137 62.137 63.235 -1.098 25819 231 1 1 . 1 1 50 50 THR CB C 50 67.100 67.100 69.697 -2.597 25819 232 1 1 . 1 1 50 50 THR H H 50 9.049 9.049 8.132 0.917 25819 233 1 1 . 1 1 51 51 ASP N N 51 118.825 118.825 119.906 -1.081 25819 234 1 1 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.719 -0.133 25819 235 1 1 . 1 1 51 51 ASP CA C 51 54.690 54.690 53.641 1.049 25819 236 1 1 . 1 1 51 51 ASP CB C 51 39.658 39.658 43.279 -3.621 25819 237 1 1 . 1 1 51 51 ASP H H 51 8.251 8.251 8.119 0.132 25819 238 1 1 . 1 1 52 52 ILE N N 52 118.411 118.411 119.479 -1.068 25819 239 1 1 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.296 -0.371 25819 240 1 1 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.143 0.538 25819 241 1 1 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.287 -0.391 25819 242 1 1 . 1 1 52 52 ILE H H 52 7.169 7.169 7.505 -0.336 25819 243 1 1 . 1 1 53 53 LEU N N 53 120.128 120.128 124.642 -4.514 25819 244 1 1 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.903 0.118 25819 245 1 1 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.607 -0.326 25819 246 1 1 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.905 1.500 25819 247 1 1 . 1 1 53 53 LEU H H 53 7.876 7.876 8.047 -0.171 25819 248 1 1 . 1 1 54 54 SER N N 54 122.251 122.251 116.880 5.371 25819 249 1 1 . 1 1 54 54 SER HA H 54 4.959 4.959 4.861 0.098 25819 250 1 1 . 1 1 54 54 SER CA C 54 54.724 54.724 57.760 -3.036 25819 251 1 1 . 1 1 54 54 SER CB C 54 64.417 64.417 66.040 -1.623 25819 252 1 1 . 1 1 54 54 SER H H 54 8.650 8.650 8.660 -0.010 25819 253 1 1 . 1 1 55 55 ILE N N 55 123.973 123.973 123.863 0.110 25819 254 1 1 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.517 0.384 25819 255 1 1 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.606 -1.738 25819 256 1 1 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.554 0.864 25819 257 1 1 . 1 1 55 55 ILE H H 55 9.082 9.082 8.674 0.408 25819 258 1 1 . 1 1 56 56 SER N N 56 119.539 119.539 123.476 -3.937 25819 259 1 1 . 1 1 56 56 SER HA H 56 4.387 4.387 4.791 -0.404 25819 260 1 1 . 1 1 56 56 SER CA C 56 56.626 56.626 57.199 -0.573 25819 261 1 1 . 1 1 56 56 SER CB C 56 63.106 63.106 64.262 -1.156 25819 262 1 1 . 1 1 56 56 SER H H 56 7.905 7.905 8.876 -0.971 25819 263 1 1 . 1 1 57 57 ASN N N 57 124.209 124.209 121.762 2.447 25819 264 1 1 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.088 -0.069 25819 265 1 1 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.006 -0.537 25819 266 1 1 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.106 0.984 25819 267 1 1 . 1 1 57 57 ASN H H 57 8.945 8.945 8.836 0.109 25819 268 1 1 . 1 1 58 58 ALA N N 58 124.300 124.300 121.662 2.638 25819 269 1 1 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.511 -0.378 25819 270 1 1 . 1 1 58 58 ALA CA C 58 51.287 51.287 51.884 -0.597 25819 271 1 1 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.812 -1.458 25819 272 1 1 . 1 1 58 58 ALA H H 58 8.150 8.150 7.734 0.416 25819 273 1 1 . 1 1 59 59 SER N N 59 113.299 113.299 115.066 -1.767 25819 274 1 1 . 1 1 59 59 SER HA H 59 4.698 4.698 4.208 0.490 25819 275 1 1 . 1 1 59 59 SER CA C 59 60.003 60.003 60.886 -0.883 25819 276 1 1 . 1 1 59 59 SER CB C 59 62.574 62.574 63.353 -0.779 25819 277 1 1 . 1 1 59 59 SER H H 59 8.377 8.377 8.743 -0.366 25819 278 1 1 . 1 1 60 60 ASP N N 60 116.275 116.275 115.428 0.847 25819 279 1 1 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.669 -0.007 25819 280 1 1 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.927 -2.168 25819 281 1 1 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.751 -2.039 25819 282 1 1 . 1 1 60 60 ASP H H 60 8.311 8.311 8.126 0.185 25819 283 1 1 . 1 1 61 61 SER N N 61 112.649 112.649 113.165 -0.516 25819 284 1 1 . 1 1 61 61 SER HA H 61 4.630 4.630 4.330 0.300 25819 285 1 1 . 1 1 61 61 SER CA C 61 56.180 56.180 58.539 -2.359 25819 286 1 1 . 1 1 61 61 SER CB C 61 61.843 61.843 63.029 -1.185 25819 287 1 1 . 1 1 61 61 SER H H 61 7.588 7.588 7.431 0.157 25819 288 1 1 . 1 1 62 62 HIS N N 62 119.790 119.790 120.854 -1.064 25819 289 1 1 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.636 -0.589 25819 290 1 1 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.182 0.737 25819 291 1 1 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.984 -2.460 25819 292 1 1 . 1 1 62 62 HIS H H 62 8.030 8.030 7.591 0.439 25819 293 1 1 . 1 1 63 63 GLY N N 63 113.301 113.301 107.897 5.404 25819 294 1 1 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.965 -0.312 25819 295 1 1 . 1 1 63 63 GLY H H 63 8.733 8.733 8.812 -0.079 25819 296 1 1 . 1 1 64 64 LEU N N 64 120.664 120.664 121.223 -0.559 25819 297 1 1 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.862 -0.476 25819 298 1 1 . 1 1 64 64 LEU CA C 64 54.893 54.893 55.491 -0.598 25819 299 1 1 . 1 1 64 64 LEU CB C 64 41.463 41.463 47.073 -5.610 25819 300 1 1 . 1 1 64 64 LEU H H 64 7.679 7.679 7.585 0.094 25819 301 1 1 . 1 1 65 65 ALA N N 65 108.347 108.347 124.863 -16.516 25819 302 1 1 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.856 0.546 25819 303 1 1 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.548 -1.281 25819 304 1 1 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.866 -0.311 25819 305 1 1 . 1 1 65 65 ALA H H 65 9.874 9.874 9.011 0.863 25819 306 1 1 . 1 1 66 66 SER N N 66 115.951 115.951 119.017 -3.066 25819 307 1 1 . 1 1 66 66 SER HA H 66 4.909 4.909 5.005 -0.096 25819 308 1 1 . 1 1 66 66 SER CA C 66 56.645 56.645 56.524 0.121 25819 309 1 1 . 1 1 66 66 SER CB C 66 63.823 63.823 64.981 -1.158 25819 310 1 1 . 1 1 66 66 SER H H 66 8.938 8.938 8.876 0.062 25819 311 1 1 . 1 1 67 67 THR N N 67 113.595 113.595 117.344 -3.749 25819 312 1 1 . 1 1 67 67 THR HA H 67 4.649 4.649 4.586 0.063 25819 313 1 1 . 1 1 67 67 THR CA C 67 59.216 59.216 60.938 -1.722 25819 314 1 1 . 1 1 67 67 THR CB C 67 69.006 69.006 71.218 -2.212 25819 315 1 1 . 1 1 67 67 THR H H 67 8.258 8.258 8.479 -0.221 25819 316 1 1 . 1 1 68 68 LEU N N 68 124.152 124.152 122.417 1.735 25819 317 1 1 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.636 -0.280 25819 318 1 1 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.822 0.290 25819 319 1 1 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.443 0.472 25819 320 1 1 . 1 1 68 68 LEU H H 68 8.616 8.616 8.507 0.109 25819 321 1 1 . 1 1 69 69 ASN N N 69 115.821 115.821 114.783 1.038 25819 322 1 1 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.870 -0.226 25819 323 1 1 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.353 0.103 25819 324 1 1 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.672 1.634 25819 325 1 1 . 1 1 69 69 ASN H H 69 7.965 7.965 7.722 0.243 25819 326 1 1 . 1 1 70 70 GLN N N 70 114.564 114.564 118.516 -3.952 25819 327 1 1 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.613 -0.688 25819 328 1 1 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.539 -0.302 25819 329 1 1 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.824 0.182 25819 330 1 1 . 1 1 70 70 GLN H H 70 8.287 8.287 8.576 -0.289 25819 331 1 1 . 1 1 71 71 GLY N N 71 108.006 108.006 108.088 -0.082 25819 332 1 1 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.407 -1.721 25819 333 1 1 . 1 1 71 71 GLY H H 71 8.520 8.520 8.103 0.417 25819 334 1 1 . 1 1 72 72 ASN N N 72 117.784 117.784 118.995 -1.211 25819 335 1 1 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.174 0.299 25819 336 1 1 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.328 -0.637 25819 337 1 1 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.780 -0.884 25819 338 1 1 . 1 1 72 72 ASN H H 72 8.420 8.420 8.429 -0.009 25819 339 1 1 . 1 1 73 73 VAL N N 73 115.849 115.849 121.400 -5.551 25819 340 1 1 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.412 0.119 25819 341 1 1 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.807 -1.832 25819 342 1 1 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.827 -0.648 25819 343 1 1 . 1 1 73 73 VAL H H 73 8.990 8.990 9.018 -0.028 25819 344 1 1 . 1 1 74 74 LYS N N 74 123.196 123.196 124.981 -1.785 25819 345 1 1 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.620 0.536 25819 346 1 1 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.891 -1.010 25819 347 1 1 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.156 0.442 25819 348 1 1 . 1 1 74 74 LYS H H 74 8.716 8.716 8.686 0.030 25819 349 1 1 . 1 1 75 75 VAL N N 75 129.522 129.522 130.071 -0.549 25819 350 1 1 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.785 -0.243 25819 351 1 1 . 1 1 75 75 VAL CA C 75 60.816 60.816 62.223 -1.407 25819 352 1 1 . 1 1 75 75 VAL CB C 75 32.483 32.483 31.862 0.621 25819 353 1 1 . 1 1 75 75 VAL H H 75 8.975 8.975 8.378 0.597 25819 354 1 1 . 1 1 76 76 THR N N 76 120.548 120.548 122.991 -2.443 25819 355 1 1 . 1 1 76 76 THR HA H 76 5.066 5.066 4.795 0.271 25819 356 1 1 . 1 1 76 76 THR CA C 76 59.783 59.783 60.844 -1.061 25819 357 1 1 . 1 1 76 76 THR CB C 76 70.733 70.733 71.523 -0.790 25819 358 1 1 . 1 1 76 76 THR H H 76 8.650 8.650 9.206 -0.556 25819 359 1 1 . 1 1 77 77 ALA N N 77 126.454 126.454 126.342 0.112 25819 360 1 1 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.185 -0.805 25819 361 1 1 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.286 -1.856 25819 362 1 1 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.346 -1.802 25819 363 1 1 . 1 1 77 77 ALA H H 77 8.674 8.674 8.104 0.570 25819 364 1 1 . 1 1 78 78 SER N N 78 113.568 113.568 114.424 -0.856 25819 365 1 1 . 1 1 78 78 SER HA H 78 5.376 5.376 4.739 0.637 25819 366 1 1 . 1 1 78 78 SER CA C 78 56.077 56.077 57.876 -1.799 25819 367 1 1 . 1 1 78 78 SER CB C 78 65.730 65.730 66.124 -0.394 25819 368 1 1 . 1 1 78 78 SER H H 78 8.117 8.117 7.924 0.193 25819 369 1 1 . 1 1 79 79 ILE N N 79 121.071 121.071 123.693 -2.622 25819 370 1 1 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.387 -0.246 25819 371 1 1 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.995 1.129 25819 372 1 1 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.019 -2.210 25819 373 1 1 . 1 1 79 79 ILE H H 79 8.446 8.446 7.886 0.560 25819 374 1 1 . 1 1 80 80 GLY N N 80 117.157 117.157 115.485 1.672 25819 375 1 1 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.726 -0.720 25819 376 1 1 . 1 1 80 80 GLY H H 80 8.899 8.899 8.873 0.026 25819 377 1 1 . 1 1 81 81 GLY N N 81 110.715 110.715 111.203 -0.488 25819 378 1 1 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.697 -0.319 25819 379 1 1 . 1 1 81 81 GLY H H 81 8.742 8.742 8.144 0.598 25819 380 1 1 . 1 1 82 82 ILE N N 82 124.113 124.113 120.602 3.511 25819 381 1 1 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.250 -0.050 25819 382 1 1 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.667 -1.634 25819 383 1 1 . 1 1 82 82 ILE CB C 82 36.777 36.777 39.249 -2.472 25819 384 1 1 . 1 1 82 82 ILE H H 82 8.188 8.188 7.477 0.711 25819 385 1 1 . 1 1 83 83 GLN N N 83 122.455 122.455 122.200 0.255 25819 386 1 1 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.952 0.443 25819 387 1 1 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.209 -1.189 25819 388 1 1 . 1 1 83 83 GLN CB C 83 32.515 32.515 33.171 -0.656 25819 389 1 1 . 1 1 83 83 GLN H H 83 8.423 8.423 8.243 0.180 25819 390 1 1 . 1 1 84 84 GLY N N 84 111.437 111.437 107.244 4.193 25819 391 1 1 . 1 1 84 84 GLY H H 84 8.931 8.931 8.065 0.866 25819 392 1 1 . 1 1 85 85 SER N N 85 113.878 113.878 114.233 -0.355 25819 393 1 1 . 1 1 85 85 SER HA H 85 5.841 5.841 5.106 0.735 25819 394 1 1 . 1 1 85 85 SER CA C 85 56.264 56.264 57.411 -1.147 25819 395 1 1 . 1 1 85 85 SER CB C 85 66.946 66.946 66.448 0.498 25819 396 1 1 . 1 1 85 85 SER H H 85 8.710 8.710 8.395 0.315 25819 397 1 1 . 1 1 86 86 THR N N 86 115.389 115.389 115.660 -0.271 25819 398 1 1 . 1 1 86 86 THR HA H 86 4.772 4.772 4.659 0.113 25819 399 1 1 . 1 1 86 86 THR CA C 86 60.313 60.313 61.540 -1.227 25819 400 1 1 . 1 1 86 86 THR CB C 86 69.852 69.852 71.762 -1.910 25819 401 1 1 . 1 1 86 86 THR H H 86 8.854 8.854 8.909 -0.055 25819 402 1 1 . 1 1 87 87 ASP N N 87 124.623 124.623 122.253 2.370 25819 403 1 1 . 1 1 87 87 ASP HA H 87 5.436 5.436 5.026 0.410 25819 404 1 1 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.233 0.563 25819 405 1 1 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.972 -0.962 25819 406 1 1 . 1 1 87 87 ASP H H 87 7.953 7.953 8.414 -0.461 25819 407 1 1 . 1 1 88 88 PHE N N 88 123.574 123.574 124.301 -0.727 25819 408 1 1 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.501 -0.570 25819 409 1 1 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.525 0.443 25819 410 1 1 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.972 -1.089 25819 411 1 1 . 1 1 88 88 PHE H H 88 9.094 9.094 8.634 0.460 25819 412 1 1 . 1 1 89 89 LYS N N 89 126.965 126.965 124.153 2.812 25819 413 1 1 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.961 0.077 25819 414 1 1 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.516 -1.627 25819 415 1 1 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.964 -0.295 25819 416 1 1 . 1 1 89 89 LYS H H 89 7.269 7.269 8.434 -1.165 25819 417 1 1 . 1 1 90 90 VAL N N 90 126.148 126.148 129.686 -3.538 25819 418 1 1 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.097 -0.086 25819 419 1 1 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.120 -1.573 25819 420 1 1 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.510 -1.562 25819 421 1 1 . 1 1 90 90 VAL H H 90 9.086 9.086 8.584 0.502 25819 422 1 1 . 1 1 91 91 THR N N 91 120.505 120.505 122.562 -2.057 25819 423 1 1 . 1 1 91 91 THR HA H 91 4.568 4.568 4.537 0.031 25819 424 1 1 . 1 1 91 91 THR CA C 91 59.348 59.348 60.710 -1.362 25819 425 1 1 . 1 1 91 91 THR CB C 91 68.970 68.970 70.353 -1.383 25819 426 1 1 . 1 1 91 91 THR H H 91 8.757 8.757 8.605 0.152 25819 427 1 2 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.701 -0.424 25819 428 1 2 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.809 -1.588 25819 429 1 2 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.584 -1.168 25819 430 1 2 . 1 1 3 3 ALA N N 3 123.804 123.804 124.319 -0.515 25819 431 1 2 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.715 -0.509 25819 432 1 2 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.391 0.004 25819 433 1 2 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.425 -1.585 25819 434 1 2 . 1 1 3 3 ALA H H 3 8.647 8.647 8.286 0.361 25819 435 1 2 . 1 1 4 4 ALA N N 4 124.058 124.058 125.312 -1.254 25819 436 1 2 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.686 0.023 25819 437 1 2 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.715 -0.693 25819 438 1 2 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.000 -1.103 25819 439 1 2 . 1 1 4 4 ALA H H 4 8.239 8.239 8.419 -0.180 25819 440 1 2 . 1 1 5 5 LEU N N 5 124.018 124.018 121.657 2.361 25819 441 1 2 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.039 -0.667 25819 442 1 2 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.395 -1.387 25819 443 1 2 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.748 -0.506 25819 444 1 2 . 1 1 5 5 LEU H H 5 8.560 8.560 8.624 -0.064 25819 445 1 2 . 1 1 6 6 VAL N N 6 123.357 123.357 119.784 3.573 25819 446 1 2 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.245 -0.148 25819 447 1 2 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.469 -0.129 25819 448 1 2 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.998 -1.050 25819 449 1 2 . 1 1 6 6 VAL H H 6 9.119 9.119 8.068 1.051 25819 450 1 2 . 1 1 7 7 SER N N 7 112.137 112.137 113.654 -1.517 25819 451 1 2 . 1 1 7 7 SER HA H 7 4.445 4.445 4.785 -0.340 25819 452 1 2 . 1 1 7 7 SER CA C 7 56.349 56.349 57.939 -1.590 25819 453 1 2 . 1 1 7 7 SER CB C 7 64.361 64.361 66.205 -1.844 25819 454 1 2 . 1 1 7 7 SER H H 7 7.680 7.680 7.544 0.136 25819 455 1 2 . 1 1 8 8 ILE N N 8 118.674 118.674 115.928 2.746 25819 456 1 2 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.233 -0.560 25819 457 1 2 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.758 -0.612 25819 458 1 2 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.372 -0.698 25819 459 1 2 . 1 1 8 8 ILE H H 8 8.354 8.354 8.189 0.165 25819 460 1 2 . 1 1 9 9 SER N N 9 121.319 121.319 120.201 1.118 25819 461 1 2 . 1 1 9 9 SER HA H 9 4.863 4.863 4.959 -0.096 25819 462 1 2 . 1 1 9 9 SER CA C 9 55.381 55.381 57.732 -2.351 25819 463 1 2 . 1 1 9 9 SER CB C 9 64.243 64.243 63.842 0.401 25819 464 1 2 . 1 1 9 9 SER H H 9 9.028 9.028 8.548 0.480 25819 465 1 2 . 1 1 10 10 VAL N N 10 127.509 127.509 121.699 5.810 25819 466 1 2 . 1 1 10 10 VAL HA H 10 5.050 5.050 5.043 0.007 25819 467 1 2 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.340 0.572 25819 468 1 2 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.433 -1.046 25819 469 1 2 . 1 1 10 10 VAL H H 10 8.911 8.911 8.636 0.275 25819 470 1 2 . 1 1 11 11 SER N N 11 121.860 121.860 121.192 0.668 25819 471 1 2 . 1 1 11 11 SER CB C 11 64.373 64.373 62.952 1.421 25819 472 1 2 . 1 1 11 11 SER H H 11 9.206 9.206 8.588 0.618 25819 473 1 2 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.272 0.432 25819 474 1 2 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.743 -1.844 25819 475 1 2 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.478 1.611 25819 476 1 2 . 1 1 13 13 THR N N 13 116.137 116.137 117.180 -1.043 25819 477 1 2 . 1 1 13 13 THR HA H 13 4.770 4.770 4.427 0.343 25819 478 1 2 . 1 1 13 13 THR CA C 13 60.153 60.153 61.752 -1.599 25819 479 1 2 . 1 1 13 13 THR CB C 13 69.426 69.426 70.157 -0.731 25819 480 1 2 . 1 1 13 13 THR H H 13 8.679 8.679 8.233 0.446 25819 481 1 2 . 1 1 14 14 ASN N N 14 124.457 124.457 124.744 -0.287 25819 482 1 2 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.856 -0.161 25819 483 1 2 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.173 0.955 25819 484 1 2 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.165 -1.572 25819 485 1 2 . 1 1 14 14 ASN H H 14 8.710 8.710 8.710 -0.000 25819 486 1 2 . 1 1 15 15 SER N N 15 113.673 113.673 116.078 -2.405 25819 487 1 2 . 1 1 15 15 SER HA H 15 4.648 4.648 4.709 -0.061 25819 488 1 2 . 1 1 15 15 SER CA C 15 55.644 55.644 57.482 -1.838 25819 489 1 2 . 1 1 15 15 SER CB C 15 63.953 63.953 64.909 -0.956 25819 490 1 2 . 1 1 15 15 SER H H 15 9.127 9.127 7.594 1.533 25819 491 1 2 . 1 1 16 16 THR N N 16 113.579 113.579 114.454 -0.875 25819 492 1 2 . 1 1 16 16 THR HA H 16 4.976 4.976 4.834 0.142 25819 493 1 2 . 1 1 16 16 THR CA C 16 58.445 58.445 60.520 -2.075 25819 494 1 2 . 1 1 16 16 THR CB C 16 70.534 70.534 70.147 0.387 25819 495 1 2 . 1 1 16 16 THR H H 16 7.962 7.962 8.146 -0.184 25819 496 1 2 . 1 1 17 17 VAL N N 17 121.479 121.479 124.171 -2.692 25819 497 1 2 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.469 -0.149 25819 498 1 2 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.421 -0.484 25819 499 1 2 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.281 0.123 25819 500 1 2 . 1 1 17 17 VAL H H 17 7.969 7.969 9.050 -1.081 25819 501 1 2 . 1 1 18 18 ALA N N 18 126.014 126.014 127.340 -1.326 25819 502 1 2 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.333 -0.158 25819 503 1 2 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.737 -0.774 25819 504 1 2 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.528 -0.606 25819 505 1 2 . 1 1 18 18 ALA H H 18 7.756 7.756 8.367 -0.611 25819 506 1 2 . 1 1 19 19 LYS N N 19 119.741 119.741 121.330 -1.589 25819 507 1 2 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.125 -0.638 25819 508 1 2 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.610 0.162 25819 509 1 2 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.522 -0.920 25819 510 1 2 . 1 1 19 19 LYS H H 19 7.892 7.892 8.554 -0.662 25819 511 1 2 . 1 1 20 20 GLY N N 20 116.709 116.709 112.416 4.293 25819 512 1 2 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.052 -1.289 25819 513 1 2 . 1 1 20 20 GLY H H 20 8.615 8.615 8.547 0.068 25819 514 1 2 . 1 1 21 21 LEU N N 21 123.004 123.004 122.063 0.941 25819 515 1 2 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.680 -0.092 25819 516 1 2 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.198 -0.833 25819 517 1 2 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.590 -5.628 25819 518 1 2 . 1 1 21 21 LEU H H 21 8.013 8.013 7.903 0.110 25819 519 1 2 . 1 1 22 22 GLN N N 22 117.503 117.503 119.054 -1.551 25819 520 1 2 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.265 -0.137 25819 521 1 2 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.610 0.059 25819 522 1 2 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.611 -0.697 25819 523 1 2 . 1 1 22 22 GLN H H 22 8.223 8.223 8.196 0.027 25819 524 1 2 . 1 1 23 23 GLU N N 23 118.126 118.126 121.293 -3.167 25819 525 1 2 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.677 -0.114 25819 526 1 2 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.779 -2.912 25819 527 1 2 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.872 -0.998 25819 528 1 2 . 1 1 23 23 GLU H H 23 8.188 8.188 8.753 -0.565 25819 529 1 2 . 1 1 24 24 ASN N N 24 125.841 125.841 121.810 4.031 25819 530 1 2 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.328 -0.550 25819 531 1 2 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.297 -0.786 25819 532 1 2 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.745 0.001 25819 533 1 2 . 1 1 24 24 ASN H H 24 9.390 9.390 8.610 0.780 25819 534 1 2 . 1 1 25 25 PHE N N 25 122.824 122.824 121.195 1.629 25819 535 1 2 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.691 -0.040 25819 536 1 2 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.374 -0.251 25819 537 1 2 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.251 -4.191 25819 538 1 2 . 1 1 25 25 PHE H H 25 8.061 8.061 8.906 -0.845 25819 539 1 2 . 1 1 26 26 LYS N N 26 119.114 119.114 121.276 -2.162 25819 540 1 2 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.614 0.630 25819 541 1 2 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.376 -2.400 25819 542 1 2 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.653 -0.992 25819 543 1 2 . 1 1 26 26 LYS H H 26 9.255 9.255 8.662 0.593 25819 544 1 2 . 1 1 27 27 ALA N N 27 125.583 125.583 127.993 -2.410 25819 545 1 2 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.448 -0.186 25819 546 1 2 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.154 -2.337 25819 547 1 2 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.048 -0.888 25819 548 1 2 . 1 1 27 27 ALA H H 27 9.120 9.120 8.435 0.685 25819 549 1 2 . 1 1 28 28 THR HA H 28 4.837 4.837 4.708 0.129 25819 550 1 2 . 1 1 28 28 THR CA C 28 60.566 60.566 60.928 -0.362 25819 551 1 2 . 1 1 28 28 THR CB C 28 69.478 69.478 70.765 -1.287 25819 552 1 2 . 1 1 28 28 THR H H 28 9.062 9.062 8.359 0.703 25819 553 1 2 . 1 1 29 29 GLY N N 29 115.789 115.789 113.742 2.047 25819 554 1 2 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.917 0.399 25819 555 1 2 . 1 1 29 29 GLY H H 29 9.662 9.662 9.282 0.380 25819 556 1 2 . 1 1 30 30 ILE N N 30 123.084 123.084 122.164 0.920 25819 557 1 2 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.763 0.015 25819 558 1 2 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.481 0.907 25819 559 1 2 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.218 -3.334 25819 560 1 2 . 1 1 30 30 ILE H H 30 7.914 7.914 8.498 -0.584 25819 561 1 2 . 1 1 31 31 PHE N N 31 125.209 125.209 121.440 3.769 25819 562 1 2 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.198 0.172 25819 563 1 2 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.442 0.045 25819 564 1 2 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.747 -1.594 25819 565 1 2 . 1 1 31 31 PHE H H 31 8.316 8.316 8.291 0.025 25819 566 1 2 . 1 1 32 32 THR N N 32 113.842 113.842 117.576 -3.734 25819 567 1 2 . 1 1 32 32 THR HA H 32 4.404 4.404 4.204 0.200 25819 568 1 2 . 1 1 32 32 THR CA C 32 64.157 64.157 65.860 -1.703 25819 569 1 2 . 1 1 32 32 THR CB C 32 68.540 68.540 68.871 -0.331 25819 570 1 2 . 1 1 32 32 THR H H 32 9.335 9.335 8.861 0.474 25819 571 1 2 . 1 1 33 33 ASP N N 33 118.799 118.799 120.087 -1.288 25819 572 1 2 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.685 -0.064 25819 573 1 2 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.474 -1.511 25819 574 1 2 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.253 -1.759 25819 575 1 2 . 1 1 33 33 ASP H H 33 7.689 7.689 8.200 -0.511 25819 576 1 2 . 1 1 34 34 ASN N N 34 112.993 112.993 113.915 -0.922 25819 577 1 2 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.368 -0.020 25819 578 1 2 . 1 1 34 34 ASN CA C 34 54.346 54.346 55.112 -0.766 25819 579 1 2 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.047 0.443 25819 580 1 2 . 1 1 34 34 ASN H H 34 8.370 8.370 8.031 0.339 25819 581 1 2 . 1 1 35 35 SER N N 35 115.543 115.543 115.286 0.257 25819 582 1 2 . 1 1 35 35 SER HA H 35 4.413 4.413 4.632 -0.219 25819 583 1 2 . 1 1 35 35 SER CA C 35 57.882 57.882 57.323 0.559 25819 584 1 2 . 1 1 35 35 SER CB C 35 63.770 63.770 64.095 -0.325 25819 585 1 2 . 1 1 35 35 SER H H 35 7.990 7.990 8.062 -0.072 25819 586 1 2 . 1 1 36 36 ASN N N 36 116.051 116.051 123.753 -7.702 25819 587 1 2 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.607 -1.933 25819 588 1 2 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.769 2.030 25819 589 1 2 . 1 1 36 36 ASN H H 36 8.518 8.518 8.564 -0.046 25819 590 1 2 . 1 1 37 37 SER N N 37 113.191 113.191 117.264 -4.073 25819 591 1 2 . 1 1 37 37 SER HA H 37 4.715 4.715 4.729 -0.014 25819 592 1 2 . 1 1 37 37 SER CA C 37 56.801 56.801 57.362 -0.561 25819 593 1 2 . 1 1 37 37 SER CB C 37 64.872 64.872 66.964 -2.092 25819 594 1 2 . 1 1 37 37 SER H H 37 8.667 8.667 9.152 -0.485 25819 595 1 2 . 1 1 38 38 ASP N N 38 123.961 123.961 121.334 2.627 25819 596 1 2 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.755 0.232 25819 597 1 2 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.076 1.125 25819 598 1 2 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.241 -1.312 25819 599 1 2 . 1 1 38 38 ASP H H 38 8.848 8.848 8.513 0.335 25819 600 1 2 . 1 1 39 39 ILE N N 39 121.217 121.217 115.914 5.303 25819 601 1 2 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.782 1.089 25819 602 1 2 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.894 -2.187 25819 603 1 2 . 1 1 39 39 ILE CB C 39 37.086 37.086 34.894 2.192 25819 604 1 2 . 1 1 39 39 ILE H H 39 8.815 8.815 8.380 0.435 25819 605 1 2 . 1 1 40 40 THR N N 40 122.868 122.868 114.633 8.235 25819 606 1 2 . 1 1 40 40 THR HA H 40 4.288 4.288 4.108 0.180 25819 607 1 2 . 1 1 40 40 THR CB C 40 68.527 68.527 69.035 -0.508 25819 608 1 2 . 1 1 40 40 THR H H 40 8.679 8.679 8.307 0.372 25819 609 1 2 . 1 1 41 41 ASP N N 41 114.082 114.082 119.159 -5.077 25819 610 1 2 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.808 -1.110 25819 611 1 2 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.351 -0.873 25819 612 1 2 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.701 -1.983 25819 613 1 2 . 1 1 41 41 ASP H H 41 8.539 8.539 8.516 0.023 25819 614 1 2 . 1 1 42 42 GLN N N 42 117.086 117.086 117.610 -0.524 25819 615 1 2 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.074 0.077 25819 616 1 2 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.046 -0.510 25819 617 1 2 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.972 3.244 25819 618 1 2 . 1 1 42 42 GLN H H 42 7.718 7.718 7.225 0.493 25819 619 1 2 . 1 1 43 43 VAL N N 43 109.916 109.916 121.433 -11.517 25819 620 1 2 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.108 -0.019 25819 621 1 2 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.917 -4.077 25819 622 1 2 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.698 -1.425 25819 623 1 2 . 1 1 43 43 VAL H H 43 6.902 6.902 8.025 -1.123 25819 624 1 2 . 1 1 44 44 THR N N 44 116.273 116.273 124.923 -8.650 25819 625 1 2 . 1 1 44 44 THR HA H 44 4.315 4.315 4.387 -0.072 25819 626 1 2 . 1 1 44 44 THR CA C 44 61.651 61.651 62.548 -0.897 25819 627 1 2 . 1 1 44 44 THR CB C 44 68.890 68.890 68.812 0.078 25819 628 1 2 . 1 1 44 44 THR H H 44 8.787 8.787 8.636 0.151 25819 629 1 2 . 1 1 45 45 TRP N N 45 132.098 132.098 124.928 7.170 25819 630 1 2 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.283 -0.038 25819 631 1 2 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.775 0.612 25819 632 1 2 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.582 -0.505 25819 633 1 2 . 1 1 45 45 TRP H H 45 10.351 10.351 8.170 2.181 25819 634 1 2 . 1 1 46 46 ASP N N 46 121.897 121.897 122.939 -1.042 25819 635 1 2 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.917 -0.060 25819 636 1 2 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.824 -1.027 25819 637 1 2 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.336 -0.261 25819 638 1 2 . 1 1 46 46 ASP H H 46 9.471 9.471 8.519 0.952 25819 639 1 2 . 1 1 47 47 SER N N 47 113.803 113.803 116.775 -2.972 25819 640 1 2 . 1 1 47 47 SER HA H 47 5.043 5.043 5.474 -0.431 25819 641 1 2 . 1 1 47 47 SER CA C 47 53.059 53.059 56.476 -3.417 25819 642 1 2 . 1 1 47 47 SER CB C 47 64.880 64.880 65.296 -0.416 25819 643 1 2 . 1 1 47 47 SER H H 47 8.502 8.502 8.486 0.016 25819 644 1 2 . 1 1 48 48 SER N N 48 119.614 119.614 118.849 0.765 25819 645 1 2 . 1 1 48 48 SER HA H 48 4.264 4.264 4.408 -0.144 25819 646 1 2 . 1 1 48 48 SER CA C 48 59.404 59.404 59.190 0.214 25819 647 1 2 . 1 1 48 48 SER CB C 48 62.026 62.026 63.640 -1.614 25819 648 1 2 . 1 1 48 48 SER H H 48 8.517 8.517 8.540 -0.023 25819 649 1 2 . 1 1 49 49 ASN N N 49 118.259 118.259 116.635 1.624 25819 650 1 2 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.553 0.345 25819 651 1 2 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.241 -1.400 25819 652 1 2 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.423 -0.703 25819 653 1 2 . 1 1 49 49 ASN H H 49 7.816 7.816 8.010 -0.194 25819 654 1 2 . 1 1 50 50 THR N N 50 119.289 119.289 115.364 3.925 25819 655 1 2 . 1 1 50 50 THR HA H 50 4.541 4.541 4.468 0.073 25819 656 1 2 . 1 1 50 50 THR CA C 50 62.137 62.137 62.275 -0.138 25819 657 1 2 . 1 1 50 50 THR CB C 50 67.100 67.100 69.963 -2.863 25819 658 1 2 . 1 1 50 50 THR H H 50 9.049 9.049 8.414 0.635 25819 659 1 2 . 1 1 51 51 ASP N N 51 118.825 118.825 120.118 -1.293 25819 660 1 2 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.737 -0.151 25819 661 1 2 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.575 0.115 25819 662 1 2 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.896 -3.238 25819 663 1 2 . 1 1 51 51 ASP H H 51 8.251 8.251 7.971 0.280 25819 664 1 2 . 1 1 52 52 ILE N N 52 118.411 118.411 119.498 -1.087 25819 665 1 2 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.270 -0.345 25819 666 1 2 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.289 0.392 25819 667 1 2 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.498 -0.602 25819 668 1 2 . 1 1 52 52 ILE H H 52 7.169 7.169 7.647 -0.478 25819 669 1 2 . 1 1 53 53 LEU N N 53 120.128 120.128 124.051 -3.923 25819 670 1 2 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.117 -0.096 25819 671 1 2 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.890 -0.609 25819 672 1 2 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.177 1.228 25819 673 1 2 . 1 1 53 53 LEU H H 53 7.876 7.876 8.067 -0.191 25819 674 1 2 . 1 1 54 54 SER N N 54 122.251 122.251 116.897 5.354 25819 675 1 2 . 1 1 54 54 SER HA H 54 4.959 4.959 4.906 0.053 25819 676 1 2 . 1 1 54 54 SER CA C 54 54.724 54.724 56.721 -1.997 25819 677 1 2 . 1 1 54 54 SER CB C 54 64.417 64.417 65.439 -1.022 25819 678 1 2 . 1 1 54 54 SER H H 54 8.650 8.650 8.677 -0.027 25819 679 1 2 . 1 1 55 55 ILE N N 55 123.973 123.973 125.236 -1.263 25819 680 1 2 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.341 0.560 25819 681 1 2 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.207 -1.339 25819 682 1 2 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.314 1.104 25819 683 1 2 . 1 1 55 55 ILE H H 55 9.082 9.082 8.525 0.557 25819 684 1 2 . 1 1 56 56 SER N N 56 119.539 119.539 122.602 -3.063 25819 685 1 2 . 1 1 56 56 SER HA H 56 4.387 4.387 4.097 0.290 25819 686 1 2 . 1 1 56 56 SER CA C 56 56.626 56.626 57.047 -0.421 25819 687 1 2 . 1 1 56 56 SER CB C 56 63.106 63.106 64.887 -1.781 25819 688 1 2 . 1 1 56 56 SER H H 56 7.905 7.905 8.245 -0.340 25819 689 1 2 . 1 1 57 57 ASN N N 57 124.209 124.209 123.979 0.230 25819 690 1 2 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.944 0.075 25819 691 1 2 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.203 -0.734 25819 692 1 2 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.027 1.063 25819 693 1 2 . 1 1 57 57 ASN H H 57 8.945 8.945 8.312 0.633 25819 694 1 2 . 1 1 58 58 ALA N N 58 124.300 124.300 125.600 -1.300 25819 695 1 2 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.401 -0.268 25819 696 1 2 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.570 -1.283 25819 697 1 2 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.642 -0.288 25819 698 1 2 . 1 1 58 58 ALA H H 58 8.150 8.150 8.139 0.011 25819 699 1 2 . 1 1 59 59 SER N N 59 113.299 113.299 115.205 -1.906 25819 700 1 2 . 1 1 59 59 SER HA H 59 4.698 4.698 4.217 0.481 25819 701 1 2 . 1 1 59 59 SER CA C 59 60.003 60.003 60.728 -0.725 25819 702 1 2 . 1 1 59 59 SER CB C 59 62.574 62.574 63.316 -0.742 25819 703 1 2 . 1 1 59 59 SER H H 59 8.377 8.377 8.354 0.023 25819 704 1 2 . 1 1 60 60 ASP N N 60 116.275 116.275 117.253 -0.978 25819 705 1 2 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.665 -0.003 25819 706 1 2 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.903 -2.144 25819 707 1 2 . 1 1 60 60 ASP CB C 60 39.712 39.712 42.297 -2.585 25819 708 1 2 . 1 1 60 60 ASP H H 60 8.311 8.311 8.313 -0.002 25819 709 1 2 . 1 1 61 61 SER N N 61 112.649 112.649 113.534 -0.885 25819 710 1 2 . 1 1 61 61 SER HA H 61 4.630 4.630 4.404 0.226 25819 711 1 2 . 1 1 61 61 SER CA C 61 56.180 56.180 58.405 -2.225 25819 712 1 2 . 1 1 61 61 SER CB C 61 61.843 61.843 63.157 -1.314 25819 713 1 2 . 1 1 61 61 SER H H 61 7.588 7.588 8.172 -0.584 25819 714 1 2 . 1 1 62 62 HIS N N 62 119.790 119.790 124.676 -4.886 25819 715 1 2 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.560 -0.513 25819 716 1 2 . 1 1 62 62 HIS CA C 62 56.919 56.919 58.324 -1.405 25819 717 1 2 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.391 -2.867 25819 718 1 2 . 1 1 62 62 HIS H H 62 8.030 8.030 8.227 -0.197 25819 719 1 2 . 1 1 63 63 GLY N N 63 113.301 113.301 108.047 5.254 25819 720 1 2 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.840 -1.187 25819 721 1 2 . 1 1 63 63 GLY H H 63 8.733 8.733 8.231 0.502 25819 722 1 2 . 1 1 64 64 LEU N N 64 120.664 120.664 124.042 -3.378 25819 723 1 2 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.153 -0.767 25819 724 1 2 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.936 -0.043 25819 725 1 2 . 1 1 64 64 LEU CB C 64 41.463 41.463 46.601 -5.138 25819 726 1 2 . 1 1 64 64 LEU H H 64 7.679 7.679 7.674 0.005 25819 727 1 2 . 1 1 65 65 ALA N N 65 108.347 108.347 124.383 -16.036 25819 728 1 2 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.685 0.717 25819 729 1 2 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.802 -1.535 25819 730 1 2 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.677 -0.122 25819 731 1 2 . 1 1 65 65 ALA H H 65 9.874 9.874 8.954 0.920 25819 732 1 2 . 1 1 66 66 SER N N 66 115.951 115.951 120.225 -4.274 25819 733 1 2 . 1 1 66 66 SER HA H 66 4.909 4.909 5.120 -0.211 25819 734 1 2 . 1 1 66 66 SER CA C 66 56.645 56.645 56.058 0.587 25819 735 1 2 . 1 1 66 66 SER CB C 66 63.823 63.823 64.581 -0.758 25819 736 1 2 . 1 1 66 66 SER H H 66 8.938 8.938 8.678 0.260 25819 737 1 2 . 1 1 67 67 THR N N 67 113.595 113.595 119.609 -6.014 25819 738 1 2 . 1 1 67 67 THR HA H 67 4.649 4.649 4.680 -0.031 25819 739 1 2 . 1 1 67 67 THR CA C 67 59.216 59.216 60.452 -1.236 25819 740 1 2 . 1 1 67 67 THR CB C 67 69.006 69.006 71.462 -2.456 25819 741 1 2 . 1 1 67 67 THR H H 67 8.258 8.258 8.677 -0.419 25819 742 1 2 . 1 1 68 68 LEU N N 68 124.152 124.152 122.328 1.824 25819 743 1 2 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.649 -0.293 25819 744 1 2 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.633 -0.521 25819 745 1 2 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.589 0.326 25819 746 1 2 . 1 1 68 68 LEU H H 68 8.616 8.616 7.952 0.664 25819 747 1 2 . 1 1 69 69 ASN N N 69 115.821 115.821 115.588 0.233 25819 748 1 2 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.899 -0.255 25819 749 1 2 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.713 -0.257 25819 750 1 2 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.362 1.944 25819 751 1 2 . 1 1 69 69 ASN H H 69 7.965 7.965 7.747 0.218 25819 752 1 2 . 1 1 70 70 GLN N N 70 114.564 114.564 118.523 -3.959 25819 753 1 2 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.800 -0.875 25819 754 1 2 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.727 -0.490 25819 755 1 2 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.790 0.216 25819 756 1 2 . 1 1 70 70 GLN H H 70 8.287 8.287 8.699 -0.412 25819 757 1 2 . 1 1 71 71 GLY N N 71 108.006 108.006 108.371 -0.365 25819 758 1 2 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.359 -1.673 25819 759 1 2 . 1 1 71 71 GLY H H 71 8.520 8.520 7.915 0.605 25819 760 1 2 . 1 1 72 72 ASN N N 72 117.784 117.784 119.580 -1.796 25819 761 1 2 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.299 0.174 25819 762 1 2 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.487 -0.796 25819 763 1 2 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.949 -1.053 25819 764 1 2 . 1 1 72 72 ASN H H 72 8.420 8.420 8.355 0.065 25819 765 1 2 . 1 1 73 73 VAL N N 73 115.849 115.849 125.415 -9.566 25819 766 1 2 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.352 0.179 25819 767 1 2 . 1 1 73 73 VAL CA C 73 58.975 58.975 61.201 -2.226 25819 768 1 2 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.750 0.429 25819 769 1 2 . 1 1 73 73 VAL H H 73 8.990 8.990 9.147 -0.157 25819 770 1 2 . 1 1 74 74 LYS N N 74 123.196 123.196 126.521 -3.325 25819 771 1 2 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.831 0.325 25819 772 1 2 . 1 1 74 74 LYS CA C 74 53.881 53.881 55.016 -1.135 25819 773 1 2 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.326 0.271 25819 774 1 2 . 1 1 74 74 LYS H H 74 8.716 8.716 8.691 0.025 25819 775 1 2 . 1 1 75 75 VAL N N 75 129.522 129.522 129.427 0.095 25819 776 1 2 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.591 -0.049 25819 777 1 2 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.797 -0.981 25819 778 1 2 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.689 -0.206 25819 779 1 2 . 1 1 75 75 VAL H H 75 8.975 8.975 8.438 0.537 25819 780 1 2 . 1 1 76 76 THR N N 76 120.548 120.548 123.365 -2.817 25819 781 1 2 . 1 1 76 76 THR HA H 76 5.066 5.066 4.735 0.331 25819 782 1 2 . 1 1 76 76 THR CA C 76 59.783 59.783 60.737 -0.954 25819 783 1 2 . 1 1 76 76 THR CB C 76 70.733 70.733 70.192 0.542 25819 784 1 2 . 1 1 76 76 THR H H 76 8.650 8.650 9.040 -0.390 25819 785 1 2 . 1 1 77 77 ALA N N 77 126.454 126.454 128.422 -1.968 25819 786 1 2 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.576 -1.196 25819 787 1 2 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.413 -1.983 25819 788 1 2 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.911 -2.367 25819 789 1 2 . 1 1 77 77 ALA H H 77 8.674 8.674 8.368 0.306 25819 790 1 2 . 1 1 78 78 SER N N 78 113.568 113.568 117.456 -3.888 25819 791 1 2 . 1 1 78 78 SER HA H 78 5.376 5.376 4.910 0.466 25819 792 1 2 . 1 1 78 78 SER CA C 78 56.077 56.077 57.793 -1.716 25819 793 1 2 . 1 1 78 78 SER CB C 78 65.730 65.730 66.043 -0.313 25819 794 1 2 . 1 1 78 78 SER H H 78 8.117 8.117 8.197 -0.080 25819 795 1 2 . 1 1 79 79 ILE N N 79 121.071 121.071 125.365 -4.294 25819 796 1 2 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.481 -0.340 25819 797 1 2 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.346 0.778 25819 798 1 2 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.980 -2.171 25819 799 1 2 . 1 1 79 79 ILE H H 79 8.446 8.446 7.788 0.658 25819 800 1 2 . 1 1 80 80 GLY N N 80 117.157 117.157 116.361 0.796 25819 801 1 2 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.323 -0.317 25819 802 1 2 . 1 1 80 80 GLY H H 80 8.899 8.899 8.879 0.020 25819 803 1 2 . 1 1 81 81 GLY N N 81 110.715 110.715 110.436 0.279 25819 804 1 2 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.097 -0.719 25819 805 1 2 . 1 1 81 81 GLY H H 81 8.742 8.742 8.115 0.627 25819 806 1 2 . 1 1 82 82 ILE N N 82 124.113 124.113 122.191 1.922 25819 807 1 2 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.217 -0.017 25819 808 1 2 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.833 -0.800 25819 809 1 2 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.453 -1.676 25819 810 1 2 . 1 1 82 82 ILE H H 82 8.188 8.188 8.033 0.155 25819 811 1 2 . 1 1 83 83 GLN N N 83 122.455 122.455 121.717 0.738 25819 812 1 2 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.573 0.822 25819 813 1 2 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.224 -1.204 25819 814 1 2 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.966 -0.451 25819 815 1 2 . 1 1 83 83 GLN H H 83 8.423 8.423 8.192 0.231 25819 816 1 2 . 1 1 84 84 GLY N N 84 111.437 111.437 107.419 4.018 25819 817 1 2 . 1 1 84 84 GLY H H 84 8.931 8.931 8.954 -0.023 25819 818 1 2 . 1 1 85 85 SER N N 85 113.878 113.878 113.947 -0.069 25819 819 1 2 . 1 1 85 85 SER HA H 85 5.841 5.841 5.482 0.359 25819 820 1 2 . 1 1 85 85 SER CA C 85 56.264 56.264 57.260 -0.996 25819 821 1 2 . 1 1 85 85 SER CB C 85 66.946 66.946 66.879 0.067 25819 822 1 2 . 1 1 85 85 SER H H 85 8.710 8.710 8.417 0.293 25819 823 1 2 . 1 1 86 86 THR N N 86 115.389 115.389 114.999 0.390 25819 824 1 2 . 1 1 86 86 THR HA H 86 4.772 4.772 4.568 0.204 25819 825 1 2 . 1 1 86 86 THR CA C 86 60.313 60.313 61.464 -1.151 25819 826 1 2 . 1 1 86 86 THR CB C 86 69.852 69.852 71.692 -1.840 25819 827 1 2 . 1 1 86 86 THR H H 86 8.854 8.854 8.542 0.312 25819 828 1 2 . 1 1 87 87 ASP N N 87 124.623 124.623 122.766 1.857 25819 829 1 2 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.969 0.467 25819 830 1 2 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.098 0.698 25819 831 1 2 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.971 -0.961 25819 832 1 2 . 1 1 87 87 ASP H H 87 7.953 7.953 8.242 -0.289 25819 833 1 2 . 1 1 88 88 PHE N N 88 123.574 123.574 123.162 0.412 25819 834 1 2 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.633 -0.702 25819 835 1 2 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.267 0.700 25819 836 1 2 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.901 -1.017 25819 837 1 2 . 1 1 88 88 PHE H H 88 9.094 9.094 9.008 0.086 25819 838 1 2 . 1 1 89 89 LYS N N 89 126.965 126.965 123.563 3.402 25819 839 1 2 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.954 0.084 25819 840 1 2 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.490 -1.601 25819 841 1 2 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.675 -0.006 25819 842 1 2 . 1 1 89 89 LYS H H 89 7.269 7.269 8.485 -1.216 25819 843 1 2 . 1 1 90 90 VAL N N 90 126.148 126.148 129.782 -3.634 25819 844 1 2 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.037 -0.026 25819 845 1 2 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.580 -2.033 25819 846 1 2 . 1 1 90 90 VAL CB C 90 30.948 30.948 31.290 -0.341 25819 847 1 2 . 1 1 90 90 VAL H H 90 9.086 9.086 8.841 0.245 25819 848 1 2 . 1 1 91 91 THR N N 91 120.505 120.505 122.816 -2.311 25819 849 1 2 . 1 1 91 91 THR HA H 91 4.568 4.568 4.490 0.078 25819 850 1 2 . 1 1 91 91 THR CA C 91 59.348 59.348 61.526 -2.178 25819 851 1 2 . 1 1 91 91 THR CB C 91 68.970 68.970 70.010 -1.040 25819 852 1 2 . 1 1 91 91 THR H H 91 8.757 8.757 8.146 0.611 25819 853 1 3 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.581 -0.304 25819 854 1 3 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.933 -1.712 25819 855 1 3 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.726 -1.310 25819 856 1 3 . 1 1 3 3 ALA N N 3 123.804 123.804 123.005 0.799 25819 857 1 3 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.533 -0.327 25819 858 1 3 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.334 -0.938 25819 859 1 3 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.715 -1.875 25819 860 1 3 . 1 1 3 3 ALA H H 3 8.647 8.647 8.136 0.511 25819 861 1 3 . 1 1 4 4 ALA N N 4 124.058 124.058 125.764 -1.706 25819 862 1 3 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.896 -0.187 25819 863 1 3 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.732 -0.710 25819 864 1 3 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.454 -1.557 25819 865 1 3 . 1 1 4 4 ALA H H 4 8.239 8.239 8.436 -0.197 25819 866 1 3 . 1 1 5 5 LEU N N 5 124.018 124.018 119.239 4.779 25819 867 1 3 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.285 -0.913 25819 868 1 3 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.970 -0.962 25819 869 1 3 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.070 -0.828 25819 870 1 3 . 1 1 5 5 LEU H H 5 8.560 8.560 8.470 0.090 25819 871 1 3 . 1 1 6 6 VAL N N 6 123.357 123.357 119.504 3.853 25819 872 1 3 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.254 -0.157 25819 873 1 3 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.683 -0.343 25819 874 1 3 . 1 1 6 6 VAL CB C 6 32.948 32.948 34.284 -1.336 25819 875 1 3 . 1 1 6 6 VAL H H 6 9.119 9.119 7.864 1.255 25819 876 1 3 . 1 1 7 7 SER N N 7 112.137 112.137 113.828 -1.691 25819 877 1 3 . 1 1 7 7 SER HA H 7 4.445 4.445 4.749 -0.304 25819 878 1 3 . 1 1 7 7 SER CA C 7 56.349 56.349 57.270 -0.921 25819 879 1 3 . 1 1 7 7 SER CB C 7 64.361 64.361 66.300 -1.940 25819 880 1 3 . 1 1 7 7 SER H H 7 7.680 7.680 7.620 0.060 25819 881 1 3 . 1 1 8 8 ILE N N 8 118.674 118.674 116.233 2.441 25819 882 1 3 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.202 -0.529 25819 883 1 3 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.447 -0.301 25819 884 1 3 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.554 -0.880 25819 885 1 3 . 1 1 8 8 ILE H H 8 8.354 8.354 8.096 0.258 25819 886 1 3 . 1 1 9 9 SER N N 9 121.319 121.319 120.408 0.911 25819 887 1 3 . 1 1 9 9 SER HA H 9 4.863 4.863 4.879 -0.016 25819 888 1 3 . 1 1 9 9 SER CA C 9 55.381 55.381 57.581 -2.200 25819 889 1 3 . 1 1 9 9 SER CB C 9 64.243 64.243 63.794 0.449 25819 890 1 3 . 1 1 9 9 SER H H 9 9.028 9.028 8.671 0.357 25819 891 1 3 . 1 1 10 10 VAL N N 10 127.509 127.509 122.635 4.874 25819 892 1 3 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.966 0.084 25819 893 1 3 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.398 1.514 25819 894 1 3 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.601 -0.214 25819 895 1 3 . 1 1 10 10 VAL H H 10 8.911 8.911 8.447 0.465 25819 896 1 3 . 1 1 11 11 SER N N 11 121.860 121.860 121.417 0.443 25819 897 1 3 . 1 1 11 11 SER CB C 11 64.373 64.373 63.054 1.319 25819 898 1 3 . 1 1 11 11 SER H H 11 9.206 9.206 8.593 0.613 25819 899 1 3 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.307 0.397 25819 900 1 3 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.623 -1.724 25819 901 1 3 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.636 1.452 25819 902 1 3 . 1 1 13 13 THR N N 13 116.137 116.137 117.896 -1.759 25819 903 1 3 . 1 1 13 13 THR HA H 13 4.770 4.770 4.455 0.315 25819 904 1 3 . 1 1 13 13 THR CA C 13 60.153 60.153 61.501 -1.348 25819 905 1 3 . 1 1 13 13 THR CB C 13 69.426 69.426 70.282 -0.856 25819 906 1 3 . 1 1 13 13 THR H H 13 8.679 8.679 8.680 -0.001 25819 907 1 3 . 1 1 14 14 ASN N N 14 124.457 124.457 125.454 -0.997 25819 908 1 3 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.714 -0.019 25819 909 1 3 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.140 0.988 25819 910 1 3 . 1 1 14 14 ASN CB C 14 36.593 36.593 37.317 -0.724 25819 911 1 3 . 1 1 14 14 ASN H H 14 8.710 8.710 8.811 -0.101 25819 912 1 3 . 1 1 15 15 SER N N 15 113.673 113.673 115.882 -2.209 25819 913 1 3 . 1 1 15 15 SER HA H 15 4.648 4.648 4.757 -0.109 25819 914 1 3 . 1 1 15 15 SER CA C 15 55.644 55.644 57.176 -1.532 25819 915 1 3 . 1 1 15 15 SER CB C 15 63.953 63.953 64.452 -0.499 25819 916 1 3 . 1 1 15 15 SER H H 15 9.127 9.127 7.580 1.547 25819 917 1 3 . 1 1 16 16 THR N N 16 113.579 113.579 114.798 -1.219 25819 918 1 3 . 1 1 16 16 THR HA H 16 4.976 4.976 4.859 0.117 25819 919 1 3 . 1 1 16 16 THR CA C 16 58.445 58.445 60.850 -2.405 25819 920 1 3 . 1 1 16 16 THR CB C 16 70.534 70.534 69.992 0.542 25819 921 1 3 . 1 1 16 16 THR H H 16 7.962 7.962 8.129 -0.167 25819 922 1 3 . 1 1 17 17 VAL N N 17 121.479 121.479 124.341 -2.862 25819 923 1 3 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.578 -0.258 25819 924 1 3 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.705 -0.768 25819 925 1 3 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.746 -0.342 25819 926 1 3 . 1 1 17 17 VAL H H 17 7.969 7.969 8.605 -0.636 25819 927 1 3 . 1 1 18 18 ALA N N 18 126.014 126.014 126.605 -0.591 25819 928 1 3 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.411 -0.236 25819 929 1 3 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.007 -1.044 25819 930 1 3 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.647 -0.725 25819 931 1 3 . 1 1 18 18 ALA H H 18 7.756 7.756 8.361 -0.605 25819 932 1 3 . 1 1 19 19 LYS N N 19 119.741 119.741 122.143 -2.402 25819 933 1 3 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.107 -0.620 25819 934 1 3 . 1 1 19 19 LYS CA C 19 57.772 57.772 56.978 0.793 25819 935 1 3 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.305 -0.703 25819 936 1 3 . 1 1 19 19 LYS H H 19 7.892 7.892 8.182 -0.290 25819 937 1 3 . 1 1 20 20 GLY N N 20 116.709 116.709 112.659 4.050 25819 938 1 3 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.574 -1.811 25819 939 1 3 . 1 1 20 20 GLY H H 20 8.615 8.615 8.562 0.053 25819 940 1 3 . 1 1 21 21 LEU N N 21 123.004 123.004 123.863 -0.859 25819 941 1 3 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.669 -0.081 25819 942 1 3 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.878 -0.513 25819 943 1 3 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.089 -5.127 25819 944 1 3 . 1 1 21 21 LEU H H 21 8.013 8.013 7.915 0.098 25819 945 1 3 . 1 1 22 22 GLN N N 22 117.503 117.503 118.778 -1.275 25819 946 1 3 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.126 0.002 25819 947 1 3 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.429 -0.760 25819 948 1 3 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.376 -0.462 25819 949 1 3 . 1 1 22 22 GLN H H 22 8.223 8.223 8.269 -0.046 25819 950 1 3 . 1 1 23 23 GLU N N 23 118.126 118.126 123.449 -5.323 25819 951 1 3 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.657 -0.094 25819 952 1 3 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.472 -2.605 25819 953 1 3 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.202 -0.328 25819 954 1 3 . 1 1 23 23 GLU H H 23 8.188 8.188 8.698 -0.510 25819 955 1 3 . 1 1 24 24 ASN N N 24 125.841 125.841 123.452 2.389 25819 956 1 3 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.102 -0.324 25819 957 1 3 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.846 -1.335 25819 958 1 3 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.389 0.357 25819 959 1 3 . 1 1 24 24 ASN H H 24 9.390 9.390 8.704 0.686 25819 960 1 3 . 1 1 25 25 PHE N N 25 122.824 122.824 122.010 0.814 25819 961 1 3 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.796 -0.145 25819 962 1 3 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.526 0.597 25819 963 1 3 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.300 -4.241 25819 964 1 3 . 1 1 25 25 PHE H H 25 8.061 8.061 8.673 -0.612 25819 965 1 3 . 1 1 26 26 LYS N N 26 119.114 119.114 122.005 -2.891 25819 966 1 3 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.702 0.542 25819 967 1 3 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.962 -2.986 25819 968 1 3 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.884 -1.223 25819 969 1 3 . 1 1 26 26 LYS H H 26 9.255 9.255 8.634 0.621 25819 970 1 3 . 1 1 27 27 ALA N N 27 125.583 125.583 127.836 -2.253 25819 971 1 3 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.592 -0.330 25819 972 1 3 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.113 -2.296 25819 973 1 3 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.107 -0.947 25819 974 1 3 . 1 1 27 27 ALA H H 27 9.120 9.120 8.544 0.576 25819 975 1 3 . 1 1 28 28 THR HA H 28 4.837 4.837 4.772 0.065 25819 976 1 3 . 1 1 28 28 THR CA C 28 60.566 60.566 60.907 -0.341 25819 977 1 3 . 1 1 28 28 THR CB C 28 69.478 69.478 70.800 -1.322 25819 978 1 3 . 1 1 28 28 THR H H 28 9.062 9.062 8.443 0.619 25819 979 1 3 . 1 1 29 29 GLY N N 29 115.789 115.789 113.861 1.928 25819 980 1 3 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.867 0.449 25819 981 1 3 . 1 1 29 29 GLY H H 29 9.662 9.662 9.231 0.431 25819 982 1 3 . 1 1 30 30 ILE N N 30 123.084 123.084 122.228 0.856 25819 983 1 3 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.577 0.201 25819 984 1 3 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.494 0.894 25819 985 1 3 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.989 -4.106 25819 986 1 3 . 1 1 30 30 ILE H H 30 7.914 7.914 8.466 -0.552 25819 987 1 3 . 1 1 31 31 PHE N N 31 125.209 125.209 120.674 4.535 25819 988 1 3 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.242 0.128 25819 989 1 3 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.510 -0.022 25819 990 1 3 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.640 -1.487 25819 991 1 3 . 1 1 31 31 PHE H H 31 8.316 8.316 8.114 0.202 25819 992 1 3 . 1 1 32 32 THR N N 32 113.842 113.842 115.937 -2.095 25819 993 1 3 . 1 1 32 32 THR HA H 32 4.404 4.404 4.186 0.218 25819 994 1 3 . 1 1 32 32 THR CA C 32 64.157 64.157 64.671 -0.514 25819 995 1 3 . 1 1 32 32 THR CB C 32 68.540 68.540 68.957 -0.417 25819 996 1 3 . 1 1 32 32 THR H H 32 9.335 9.335 8.946 0.389 25819 997 1 3 . 1 1 33 33 ASP N N 33 118.799 118.799 119.965 -1.166 25819 998 1 3 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.753 -0.132 25819 999 1 3 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.301 -1.338 25819 1000 1 3 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.473 -1.979 25819 1001 1 3 . 1 1 33 33 ASP H H 33 7.689 7.689 8.463 -0.774 25819 1002 1 3 . 1 1 34 34 ASN N N 34 112.993 112.993 113.630 -0.637 25819 1003 1 3 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.366 -0.018 25819 1004 1 3 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.737 -0.391 25819 1005 1 3 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.546 -0.056 25819 1006 1 3 . 1 1 34 34 ASN H H 34 8.370 8.370 8.006 0.364 25819 1007 1 3 . 1 1 35 35 SER N N 35 115.543 115.543 115.597 -0.054 25819 1008 1 3 . 1 1 35 35 SER HA H 35 4.413 4.413 4.630 -0.217 25819 1009 1 3 . 1 1 35 35 SER CA C 35 57.882 57.882 57.503 0.379 25819 1010 1 3 . 1 1 35 35 SER CB C 35 63.770 63.770 64.528 -0.757 25819 1011 1 3 . 1 1 35 35 SER H H 35 7.990 7.990 7.943 0.047 25819 1012 1 3 . 1 1 36 36 ASN N N 36 116.051 116.051 125.584 -9.533 25819 1013 1 3 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.415 -2.741 25819 1014 1 3 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.042 1.757 25819 1015 1 3 . 1 1 36 36 ASN H H 36 8.518 8.518 8.783 -0.265 25819 1016 1 3 . 1 1 37 37 SER N N 37 113.191 113.191 117.619 -4.428 25819 1017 1 3 . 1 1 37 37 SER HA H 37 4.715 4.715 4.757 -0.042 25819 1018 1 3 . 1 1 37 37 SER CA C 37 56.801 56.801 57.394 -0.593 25819 1019 1 3 . 1 1 37 37 SER CB C 37 64.872 64.872 66.880 -2.008 25819 1020 1 3 . 1 1 37 37 SER H H 37 8.667 8.667 9.268 -0.601 25819 1021 1 3 . 1 1 38 38 ASP N N 38 123.961 123.961 121.768 2.193 25819 1022 1 3 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.759 0.228 25819 1023 1 3 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.169 1.032 25819 1024 1 3 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.218 -1.289 25819 1025 1 3 . 1 1 38 38 ASP H H 38 8.848 8.848 8.509 0.339 25819 1026 1 3 . 1 1 39 39 ILE N N 39 121.217 121.217 115.974 5.243 25819 1027 1 3 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.827 1.044 25819 1028 1 3 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.885 -2.178 25819 1029 1 3 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.253 1.833 25819 1030 1 3 . 1 1 39 39 ILE H H 39 8.815 8.815 8.380 0.435 25819 1031 1 3 . 1 1 40 40 THR N N 40 122.868 122.868 115.693 7.175 25819 1032 1 3 . 1 1 40 40 THR HA H 40 4.288 4.288 4.192 0.096 25819 1033 1 3 . 1 1 40 40 THR CB C 40 68.527 68.527 69.136 -0.609 25819 1034 1 3 . 1 1 40 40 THR H H 40 8.679 8.679 8.304 0.375 25819 1035 1 3 . 1 1 41 41 ASP N N 41 114.082 114.082 119.738 -5.656 25819 1036 1 3 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.802 -1.104 25819 1037 1 3 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.636 -0.158 25819 1038 1 3 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.642 -1.924 25819 1039 1 3 . 1 1 41 41 ASP H H 41 8.539 8.539 8.431 0.108 25819 1040 1 3 . 1 1 42 42 GLN N N 42 117.086 117.086 115.894 1.192 25819 1041 1 3 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.055 0.096 25819 1042 1 3 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.828 -0.292 25819 1043 1 3 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.477 2.739 25819 1044 1 3 . 1 1 42 42 GLN H H 42 7.718 7.718 7.214 0.504 25819 1045 1 3 . 1 1 43 43 VAL N N 43 109.916 109.916 123.144 -13.228 25819 1046 1 3 . 1 1 43 43 VAL HA H 43 4.089 4.089 3.902 0.187 25819 1047 1 3 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.571 -4.731 25819 1048 1 3 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.233 -0.960 25819 1049 1 3 . 1 1 43 43 VAL H H 43 6.902 6.902 8.737 -1.835 25819 1050 1 3 . 1 1 44 44 THR N N 44 116.273 116.273 126.597 -10.324 25819 1051 1 3 . 1 1 44 44 THR HA H 44 4.315 4.315 4.536 -0.221 25819 1052 1 3 . 1 1 44 44 THR CA C 44 61.651 61.651 62.533 -0.882 25819 1053 1 3 . 1 1 44 44 THR CB C 44 68.890 68.890 69.129 -0.239 25819 1054 1 3 . 1 1 44 44 THR H H 44 8.787 8.787 8.022 0.765 25819 1055 1 3 . 1 1 45 45 TRP N N 45 132.098 132.098 125.175 6.923 25819 1056 1 3 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.945 0.300 25819 1057 1 3 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.987 0.400 25819 1058 1 3 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.508 -1.431 25819 1059 1 3 . 1 1 45 45 TRP H H 45 10.351 10.351 8.076 2.275 25819 1060 1 3 . 1 1 46 46 ASP N N 46 121.897 121.897 121.546 0.351 25819 1061 1 3 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.957 -0.100 25819 1062 1 3 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.624 -0.827 25819 1063 1 3 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.070 0.005 25819 1064 1 3 . 1 1 46 46 ASP H H 46 9.471 9.471 8.449 1.022 25819 1065 1 3 . 1 1 47 47 SER N N 47 113.803 113.803 118.893 -5.090 25819 1066 1 3 . 1 1 47 47 SER HA H 47 5.043 5.043 5.234 -0.191 25819 1067 1 3 . 1 1 47 47 SER CA C 47 53.059 53.059 56.968 -3.909 25819 1068 1 3 . 1 1 47 47 SER CB C 47 64.880 64.880 66.334 -1.454 25819 1069 1 3 . 1 1 47 47 SER H H 47 8.502 8.502 8.507 -0.005 25819 1070 1 3 . 1 1 48 48 SER N N 48 119.614 119.614 119.758 -0.144 25819 1071 1 3 . 1 1 48 48 SER HA H 48 4.264 4.264 4.362 -0.098 25819 1072 1 3 . 1 1 48 48 SER CA C 48 59.404 59.404 59.259 0.145 25819 1073 1 3 . 1 1 48 48 SER CB C 48 62.026 62.026 63.527 -1.501 25819 1074 1 3 . 1 1 48 48 SER H H 48 8.517 8.517 8.724 -0.207 25819 1075 1 3 . 1 1 49 49 ASN N N 49 118.259 118.259 117.605 0.654 25819 1076 1 3 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.486 0.412 25819 1077 1 3 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.385 -1.544 25819 1078 1 3 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.521 -0.801 25819 1079 1 3 . 1 1 49 49 ASN H H 49 7.816 7.816 7.811 0.005 25819 1080 1 3 . 1 1 50 50 THR N N 50 119.289 119.289 115.258 4.031 25819 1081 1 3 . 1 1 50 50 THR HA H 50 4.541 4.541 4.547 -0.006 25819 1082 1 3 . 1 1 50 50 THR CA C 50 62.137 62.137 63.514 -1.377 25819 1083 1 3 . 1 1 50 50 THR CB C 50 67.100 67.100 70.145 -3.045 25819 1084 1 3 . 1 1 50 50 THR H H 50 9.049 9.049 8.271 0.778 25819 1085 1 3 . 1 1 51 51 ASP N N 51 118.825 118.825 119.540 -0.715 25819 1086 1 3 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.700 -0.114 25819 1087 1 3 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.661 0.029 25819 1088 1 3 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.836 -3.178 25819 1089 1 3 . 1 1 51 51 ASP H H 51 8.251 8.251 7.940 0.311 25819 1090 1 3 . 1 1 52 52 ILE N N 52 118.411 118.411 119.417 -1.006 25819 1091 1 3 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.253 -0.328 25819 1092 1 3 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.847 -0.166 25819 1093 1 3 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.347 0.549 25819 1094 1 3 . 1 1 52 52 ILE H H 52 7.169 7.169 7.498 -0.329 25819 1095 1 3 . 1 1 53 53 LEU N N 53 120.128 120.128 124.784 -4.656 25819 1096 1 3 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.964 0.057 25819 1097 1 3 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.596 -0.315 25819 1098 1 3 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.549 0.856 25819 1099 1 3 . 1 1 53 53 LEU H H 53 7.876 7.876 7.891 -0.015 25819 1100 1 3 . 1 1 54 54 SER N N 54 122.251 122.251 117.004 5.247 25819 1101 1 3 . 1 1 54 54 SER HA H 54 4.959 4.959 4.893 0.066 25819 1102 1 3 . 1 1 54 54 SER CA C 54 54.724 54.724 57.091 -2.367 25819 1103 1 3 . 1 1 54 54 SER CB C 54 64.417 64.417 65.793 -1.376 25819 1104 1 3 . 1 1 54 54 SER H H 54 8.650 8.650 8.582 0.068 25819 1105 1 3 . 1 1 55 55 ILE N N 55 123.973 123.973 125.015 -1.042 25819 1106 1 3 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.167 0.734 25819 1107 1 3 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.132 -1.264 25819 1108 1 3 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.641 0.777 25819 1109 1 3 . 1 1 55 55 ILE H H 55 9.082 9.082 8.450 0.632 25819 1110 1 3 . 1 1 56 56 SER N N 56 119.539 119.539 123.768 -4.229 25819 1111 1 3 . 1 1 56 56 SER HA H 56 4.387 4.387 3.898 0.489 25819 1112 1 3 . 1 1 56 56 SER CA C 56 56.626 56.626 57.201 -0.575 25819 1113 1 3 . 1 1 56 56 SER CB C 56 63.106 63.106 64.518 -1.412 25819 1114 1 3 . 1 1 56 56 SER H H 56 7.905 7.905 8.456 -0.551 25819 1115 1 3 . 1 1 57 57 ASN N N 57 124.209 124.209 122.175 2.034 25819 1116 1 3 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.879 0.140 25819 1117 1 3 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.674 -1.205 25819 1118 1 3 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.987 0.103 25819 1119 1 3 . 1 1 57 57 ASN H H 57 8.945 8.945 8.327 0.618 25819 1120 1 3 . 1 1 58 58 ALA N N 58 124.300 124.300 122.250 2.050 25819 1121 1 3 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.530 -0.397 25819 1122 1 3 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.703 -1.416 25819 1123 1 3 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.188 0.166 25819 1124 1 3 . 1 1 58 58 ALA H H 58 8.150 8.150 8.010 0.140 25819 1125 1 3 . 1 1 59 59 SER N N 59 113.299 113.299 113.296 0.003 25819 1126 1 3 . 1 1 59 59 SER HA H 59 4.698 4.698 4.233 0.465 25819 1127 1 3 . 1 1 59 59 SER CA C 59 60.003 60.003 60.882 -0.879 25819 1128 1 3 . 1 1 59 59 SER CB C 59 62.574 62.574 63.258 -0.684 25819 1129 1 3 . 1 1 59 59 SER H H 59 8.377 8.377 8.375 0.002 25819 1130 1 3 . 1 1 60 60 ASP N N 60 116.275 116.275 115.584 0.691 25819 1131 1 3 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.704 -0.042 25819 1132 1 3 . 1 1 60 60 ASP CA C 60 52.759 52.759 55.009 -2.250 25819 1133 1 3 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.896 -2.184 25819 1134 1 3 . 1 1 60 60 ASP H H 60 8.311 8.311 7.970 0.341 25819 1135 1 3 . 1 1 61 61 SER N N 61 112.649 112.649 113.747 -1.098 25819 1136 1 3 . 1 1 61 61 SER HA H 61 4.630 4.630 4.432 0.198 25819 1137 1 3 . 1 1 61 61 SER CA C 61 56.180 56.180 59.141 -2.961 25819 1138 1 3 . 1 1 61 61 SER CB C 61 61.843 61.843 63.182 -1.339 25819 1139 1 3 . 1 1 61 61 SER H H 61 7.588 7.588 8.339 -0.751 25819 1140 1 3 . 1 1 62 62 HIS N N 62 119.790 119.790 119.852 -0.062 25819 1141 1 3 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.716 -0.669 25819 1142 1 3 . 1 1 62 62 HIS CA C 62 56.919 56.919 54.794 2.125 25819 1143 1 3 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.326 -2.802 25819 1144 1 3 . 1 1 62 62 HIS H H 62 8.030 8.030 8.070 -0.040 25819 1145 1 3 . 1 1 63 63 GLY N N 63 113.301 113.301 107.740 5.561 25819 1146 1 3 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.236 -0.583 25819 1147 1 3 . 1 1 63 63 GLY H H 63 8.733 8.733 8.359 0.374 25819 1148 1 3 . 1 1 64 64 LEU N N 64 120.664 120.664 123.039 -2.375 25819 1149 1 3 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.796 -0.410 25819 1150 1 3 . 1 1 64 64 LEU CA C 64 54.893 54.893 55.251 -0.358 25819 1151 1 3 . 1 1 64 64 LEU CB C 64 41.463 41.463 46.928 -5.465 25819 1152 1 3 . 1 1 64 64 LEU H H 64 7.679 7.679 9.109 -1.430 25819 1153 1 3 . 1 1 65 65 ALA N N 65 108.347 108.347 124.214 -15.867 25819 1154 1 3 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.560 0.842 25819 1155 1 3 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.584 -1.317 25819 1156 1 3 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.757 -0.202 25819 1157 1 3 . 1 1 65 65 ALA H H 65 9.874 9.874 8.785 1.089 25819 1158 1 3 . 1 1 66 66 SER N N 66 115.951 115.951 118.692 -2.741 25819 1159 1 3 . 1 1 66 66 SER HA H 66 4.909 4.909 5.471 -0.562 25819 1160 1 3 . 1 1 66 66 SER CA C 66 56.645 56.645 56.445 0.200 25819 1161 1 3 . 1 1 66 66 SER CB C 66 63.823 63.823 64.840 -1.017 25819 1162 1 3 . 1 1 66 66 SER H H 66 8.938 8.938 8.570 0.368 25819 1163 1 3 . 1 1 67 67 THR N N 67 113.595 113.595 118.497 -4.902 25819 1164 1 3 . 1 1 67 67 THR HA H 67 4.649 4.649 4.674 -0.025 25819 1165 1 3 . 1 1 67 67 THR CA C 67 59.216 59.216 60.322 -1.106 25819 1166 1 3 . 1 1 67 67 THR CB C 67 69.006 69.006 70.325 -1.319 25819 1167 1 3 . 1 1 67 67 THR H H 67 8.258 8.258 8.018 0.240 25819 1168 1 3 . 1 1 68 68 LEU N N 68 124.152 124.152 121.242 2.910 25819 1169 1 3 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.740 -0.384 25819 1170 1 3 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.721 0.391 25819 1171 1 3 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.322 0.593 25819 1172 1 3 . 1 1 68 68 LEU H H 68 8.616 8.616 8.094 0.522 25819 1173 1 3 . 1 1 69 69 ASN N N 69 115.821 115.821 116.326 -0.505 25819 1174 1 3 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.803 -0.159 25819 1175 1 3 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.675 -0.219 25819 1176 1 3 . 1 1 69 69 ASN CB C 69 42.306 42.306 39.965 2.341 25819 1177 1 3 . 1 1 69 69 ASN H H 69 7.965 7.965 7.904 0.061 25819 1178 1 3 . 1 1 70 70 GLN N N 70 114.564 114.564 116.663 -2.099 25819 1179 1 3 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.574 -0.649 25819 1180 1 3 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.885 0.352 25819 1181 1 3 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.875 0.131 25819 1182 1 3 . 1 1 70 70 GLN H H 70 8.287 8.287 8.621 -0.334 25819 1183 1 3 . 1 1 71 71 GLY N N 71 108.006 108.006 108.373 -0.367 25819 1184 1 3 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.258 -1.571 25819 1185 1 3 . 1 1 71 71 GLY H H 71 8.520 8.520 7.837 0.683 25819 1186 1 3 . 1 1 72 72 ASN N N 72 117.784 117.784 119.047 -1.263 25819 1187 1 3 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.054 0.419 25819 1188 1 3 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.348 -0.657 25819 1189 1 3 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.825 -0.929 25819 1190 1 3 . 1 1 72 72 ASN H H 72 8.420 8.420 8.371 0.049 25819 1191 1 3 . 1 1 73 73 VAL N N 73 115.849 115.849 116.215 -0.366 25819 1192 1 3 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.560 -0.029 25819 1193 1 3 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.093 -1.117 25819 1194 1 3 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.191 -0.012 25819 1195 1 3 . 1 1 73 73 VAL H H 73 8.990 8.990 8.968 0.022 25819 1196 1 3 . 1 1 74 74 LYS N N 74 123.196 123.196 123.890 -0.694 25819 1197 1 3 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.763 0.393 25819 1198 1 3 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.874 -0.993 25819 1199 1 3 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.532 0.065 25819 1200 1 3 . 1 1 74 74 LYS H H 74 8.716 8.716 8.747 -0.031 25819 1201 1 3 . 1 1 75 75 VAL N N 75 129.522 129.522 129.114 0.408 25819 1202 1 3 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.872 -0.330 25819 1203 1 3 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.477 -0.661 25819 1204 1 3 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.486 -1.002 25819 1205 1 3 . 1 1 75 75 VAL H H 75 8.975 8.975 8.407 0.568 25819 1206 1 3 . 1 1 76 76 THR N N 76 120.548 120.548 123.630 -3.082 25819 1207 1 3 . 1 1 76 76 THR HA H 76 5.066 5.066 4.753 0.313 25819 1208 1 3 . 1 1 76 76 THR CA C 76 59.783 59.783 60.708 -0.925 25819 1209 1 3 . 1 1 76 76 THR CB C 76 70.733 70.733 71.393 -0.660 25819 1210 1 3 . 1 1 76 76 THR H H 76 8.650 8.650 8.687 -0.037 25819 1211 1 3 . 1 1 77 77 ALA N N 77 126.454 126.454 125.683 0.771 25819 1212 1 3 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.313 -0.933 25819 1213 1 3 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.241 -1.811 25819 1214 1 3 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.821 -2.277 25819 1215 1 3 . 1 1 77 77 ALA H H 77 8.674 8.674 8.781 -0.107 25819 1216 1 3 . 1 1 78 78 SER N N 78 113.568 113.568 114.901 -1.333 25819 1217 1 3 . 1 1 78 78 SER HA H 78 5.376 5.376 4.881 0.495 25819 1218 1 3 . 1 1 78 78 SER CA C 78 56.077 56.077 58.102 -2.025 25819 1219 1 3 . 1 1 78 78 SER CB C 78 65.730 65.730 65.812 -0.082 25819 1220 1 3 . 1 1 78 78 SER H H 78 8.117 8.117 8.206 -0.089 25819 1221 1 3 . 1 1 79 79 ILE N N 79 121.071 121.071 124.064 -2.993 25819 1222 1 3 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.244 -0.103 25819 1223 1 3 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.373 0.751 25819 1224 1 3 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.269 -2.459 25819 1225 1 3 . 1 1 79 79 ILE H H 79 8.446 8.446 8.329 0.117 25819 1226 1 3 . 1 1 80 80 GLY N N 80 117.157 117.157 115.803 1.354 25819 1227 1 3 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.843 -0.837 25819 1228 1 3 . 1 1 80 80 GLY H H 80 8.899 8.899 8.432 0.467 25819 1229 1 3 . 1 1 81 81 GLY N N 81 110.715 110.715 111.211 -0.496 25819 1230 1 3 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.120 -0.742 25819 1231 1 3 . 1 1 81 81 GLY H H 81 8.742 8.742 8.158 0.584 25819 1232 1 3 . 1 1 82 82 ILE N N 82 124.113 124.113 121.894 2.219 25819 1233 1 3 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.324 -0.124 25819 1234 1 3 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.354 -0.321 25819 1235 1 3 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.729 -1.952 25819 1236 1 3 . 1 1 82 82 ILE H H 82 8.188 8.188 7.914 0.274 25819 1237 1 3 . 1 1 83 83 GLN N N 83 122.455 122.455 121.844 0.611 25819 1238 1 3 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.542 0.853 25819 1239 1 3 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.095 -1.075 25819 1240 1 3 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.816 -0.301 25819 1241 1 3 . 1 1 83 83 GLN H H 83 8.423 8.423 8.251 0.172 25819 1242 1 3 . 1 1 84 84 GLY N N 84 111.437 111.437 107.382 4.055 25819 1243 1 3 . 1 1 84 84 GLY H H 84 8.931 8.931 8.860 0.071 25819 1244 1 3 . 1 1 85 85 SER N N 85 113.878 113.878 115.378 -1.500 25819 1245 1 3 . 1 1 85 85 SER HA H 85 5.841 5.841 5.219 0.622 25819 1246 1 3 . 1 1 85 85 SER CA C 85 56.264 56.264 57.470 -1.206 25819 1247 1 3 . 1 1 85 85 SER CB C 85 66.946 66.946 67.151 -0.205 25819 1248 1 3 . 1 1 85 85 SER H H 85 8.710 8.710 8.417 0.293 25819 1249 1 3 . 1 1 86 86 THR N N 86 115.389 115.389 116.077 -0.688 25819 1250 1 3 . 1 1 86 86 THR HA H 86 4.772 4.772 4.536 0.236 25819 1251 1 3 . 1 1 86 86 THR CA C 86 60.313 60.313 61.425 -1.112 25819 1252 1 3 . 1 1 86 86 THR CB C 86 69.852 69.852 71.645 -1.794 25819 1253 1 3 . 1 1 86 86 THR H H 86 8.854 8.854 8.983 -0.129 25819 1254 1 3 . 1 1 87 87 ASP N N 87 124.623 124.623 122.137 2.486 25819 1255 1 3 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.807 0.629 25819 1256 1 3 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.190 0.606 25819 1257 1 3 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.015 -1.005 25819 1258 1 3 . 1 1 87 87 ASP H H 87 7.953 7.953 8.144 -0.191 25819 1259 1 3 . 1 1 88 88 PHE N N 88 123.574 123.574 123.323 0.251 25819 1260 1 3 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.600 -0.669 25819 1261 1 3 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.289 0.679 25819 1262 1 3 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.729 -0.845 25819 1263 1 3 . 1 1 88 88 PHE H H 88 9.094 9.094 8.658 0.436 25819 1264 1 3 . 1 1 89 89 LYS N N 89 126.965 126.965 123.588 3.377 25819 1265 1 3 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.900 0.138 25819 1266 1 3 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.289 -1.401 25819 1267 1 3 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.579 0.090 25819 1268 1 3 . 1 1 89 89 LYS H H 89 7.269 7.269 8.425 -1.156 25819 1269 1 3 . 1 1 90 90 VAL N N 90 126.148 126.148 129.631 -3.483 25819 1270 1 3 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.105 -0.094 25819 1271 1 3 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.280 -1.733 25819 1272 1 3 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.318 -1.370 25819 1273 1 3 . 1 1 90 90 VAL H H 90 9.086 9.086 8.490 0.596 25819 1274 1 3 . 1 1 91 91 THR N N 91 120.505 120.505 121.521 -1.016 25819 1275 1 3 . 1 1 91 91 THR HA H 91 4.568 4.568 4.680 -0.112 25819 1276 1 3 . 1 1 91 91 THR CA C 91 59.348 59.348 60.059 -0.711 25819 1277 1 3 . 1 1 91 91 THR CB C 91 68.970 68.970 71.479 -2.509 25819 1278 1 3 . 1 1 91 91 THR H H 91 8.757 8.757 8.219 0.538 25819 1279 1 4 . 1 1 2 2 PRO HA H 2 4.277 4.277 5.180 -0.903 25819 1280 1 4 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.830 -1.609 25819 1281 1 4 . 1 1 2 2 PRO CB C 2 31.416 31.416 33.621 -2.205 25819 1282 1 4 . 1 1 3 3 ALA N N 3 123.804 123.804 123.621 0.183 25819 1283 1 4 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.512 -0.306 25819 1284 1 4 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.854 -0.459 25819 1285 1 4 . 1 1 3 3 ALA CB C 3 18.840 18.840 21.167 -2.327 25819 1286 1 4 . 1 1 3 3 ALA H H 3 8.647 8.647 8.212 0.435 25819 1287 1 4 . 1 1 4 4 ALA N N 4 124.058 124.058 125.886 -1.828 25819 1288 1 4 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.814 -0.105 25819 1289 1 4 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.817 -0.795 25819 1290 1 4 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.027 -1.130 25819 1291 1 4 . 1 1 4 4 ALA H H 4 8.239 8.239 8.475 -0.236 25819 1292 1 4 . 1 1 5 5 LEU N N 5 124.018 124.018 121.285 2.733 25819 1293 1 4 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.709 -0.337 25819 1294 1 4 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.042 -1.034 25819 1295 1 4 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.576 -0.334 25819 1296 1 4 . 1 1 5 5 LEU H H 5 8.560 8.560 8.253 0.307 25819 1297 1 4 . 1 1 6 6 VAL N N 6 123.357 123.357 117.117 6.240 25819 1298 1 4 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.307 -0.210 25819 1299 1 4 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.514 -0.174 25819 1300 1 4 . 1 1 6 6 VAL CB C 6 32.948 32.948 34.134 -1.186 25819 1301 1 4 . 1 1 6 6 VAL H H 6 9.119 9.119 8.190 0.929 25819 1302 1 4 . 1 1 7 7 SER N N 7 112.137 112.137 114.221 -2.084 25819 1303 1 4 . 1 1 7 7 SER HA H 7 4.445 4.445 4.895 -0.450 25819 1304 1 4 . 1 1 7 7 SER CA C 7 56.349 56.349 57.422 -1.073 25819 1305 1 4 . 1 1 7 7 SER CB C 7 64.361 64.361 66.680 -2.318 25819 1306 1 4 . 1 1 7 7 SER H H 7 7.680 7.680 7.767 -0.087 25819 1307 1 4 . 1 1 8 8 ILE N N 8 118.674 118.674 115.311 3.363 25819 1308 1 4 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.240 -0.567 25819 1309 1 4 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.193 -0.047 25819 1310 1 4 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.633 -0.959 25819 1311 1 4 . 1 1 8 8 ILE H H 8 8.354 8.354 8.120 0.234 25819 1312 1 4 . 1 1 9 9 SER N N 9 121.319 121.319 119.053 2.266 25819 1313 1 4 . 1 1 9 9 SER HA H 9 4.863 4.863 4.933 -0.070 25819 1314 1 4 . 1 1 9 9 SER CA C 9 55.381 55.381 57.224 -1.843 25819 1315 1 4 . 1 1 9 9 SER CB C 9 64.243 64.243 63.623 0.620 25819 1316 1 4 . 1 1 9 9 SER H H 9 9.028 9.028 8.713 0.315 25819 1317 1 4 . 1 1 10 10 VAL N N 10 127.509 127.509 121.888 5.621 25819 1318 1 4 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.869 0.181 25819 1319 1 4 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.100 0.812 25819 1320 1 4 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.889 -0.502 25819 1321 1 4 . 1 1 10 10 VAL H H 10 8.911 8.911 8.607 0.304 25819 1322 1 4 . 1 1 11 11 SER N N 11 121.860 121.860 121.903 -0.043 25819 1323 1 4 . 1 1 11 11 SER CB C 11 64.373 64.373 63.119 1.254 25819 1324 1 4 . 1 1 11 11 SER H H 11 9.206 9.206 8.887 0.319 25819 1325 1 4 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.436 0.268 25819 1326 1 4 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.694 -1.795 25819 1327 1 4 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.107 1.982 25819 1328 1 4 . 1 1 13 13 THR N N 13 116.137 116.137 117.503 -1.366 25819 1329 1 4 . 1 1 13 13 THR HA H 13 4.770 4.770 4.382 0.388 25819 1330 1 4 . 1 1 13 13 THR CA C 13 60.153 60.153 61.373 -1.220 25819 1331 1 4 . 1 1 13 13 THR CB C 13 69.426 69.426 70.452 -1.026 25819 1332 1 4 . 1 1 13 13 THR H H 13 8.679 8.679 8.370 0.309 25819 1333 1 4 . 1 1 14 14 ASN N N 14 124.457 124.457 124.366 0.091 25819 1334 1 4 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.698 -0.003 25819 1335 1 4 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.094 1.034 25819 1336 1 4 . 1 1 14 14 ASN CB C 14 36.593 36.593 37.892 -1.299 25819 1337 1 4 . 1 1 14 14 ASN H H 14 8.710 8.710 8.672 0.038 25819 1338 1 4 . 1 1 15 15 SER N N 15 113.673 113.673 117.063 -3.390 25819 1339 1 4 . 1 1 15 15 SER HA H 15 4.648 4.648 4.574 0.074 25819 1340 1 4 . 1 1 15 15 SER CA C 15 55.644 55.644 56.792 -1.148 25819 1341 1 4 . 1 1 15 15 SER CB C 15 63.953 63.953 64.933 -0.980 25819 1342 1 4 . 1 1 15 15 SER H H 15 9.127 9.127 7.359 1.768 25819 1343 1 4 . 1 1 16 16 THR N N 16 113.579 113.579 115.159 -1.580 25819 1344 1 4 . 1 1 16 16 THR HA H 16 4.976 4.976 4.838 0.138 25819 1345 1 4 . 1 1 16 16 THR CA C 16 58.445 58.445 59.895 -1.450 25819 1346 1 4 . 1 1 16 16 THR CB C 16 70.534 70.534 70.089 0.445 25819 1347 1 4 . 1 1 16 16 THR H H 16 7.962 7.962 8.103 -0.141 25819 1348 1 4 . 1 1 17 17 VAL N N 17 121.479 121.479 120.467 1.012 25819 1349 1 4 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.623 -0.303 25819 1350 1 4 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.399 0.538 25819 1351 1 4 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.775 -0.371 25819 1352 1 4 . 1 1 17 17 VAL H H 17 7.969 7.969 8.830 -0.861 25819 1353 1 4 . 1 1 18 18 ALA N N 18 126.014 126.014 125.222 0.792 25819 1354 1 4 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.343 -0.168 25819 1355 1 4 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.972 -1.009 25819 1356 1 4 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.478 -0.556 25819 1357 1 4 . 1 1 18 18 ALA H H 18 7.756 7.756 8.227 -0.471 25819 1358 1 4 . 1 1 19 19 LYS N N 19 119.741 119.741 122.284 -2.543 25819 1359 1 4 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.198 -0.711 25819 1360 1 4 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.273 0.499 25819 1361 1 4 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.047 -0.445 25819 1362 1 4 . 1 1 19 19 LYS H H 19 7.892 7.892 8.555 -0.663 25819 1363 1 4 . 1 1 20 20 GLY N N 20 116.709 116.709 111.974 4.735 25819 1364 1 4 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.489 -1.726 25819 1365 1 4 . 1 1 20 20 GLY H H 20 8.615 8.615 8.521 0.094 25819 1366 1 4 . 1 1 21 21 LEU N N 21 123.004 123.004 123.007 -0.003 25819 1367 1 4 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.742 -0.154 25819 1368 1 4 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.312 0.053 25819 1369 1 4 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.912 -4.950 25819 1370 1 4 . 1 1 21 21 LEU H H 21 8.013 8.013 8.017 -0.004 25819 1371 1 4 . 1 1 22 22 GLN N N 22 117.503 117.503 117.538 -0.035 25819 1372 1 4 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.120 0.008 25819 1373 1 4 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.349 -0.680 25819 1374 1 4 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.221 -1.307 25819 1375 1 4 . 1 1 22 22 GLN H H 22 8.223 8.223 8.106 0.117 25819 1376 1 4 . 1 1 23 23 GLU N N 23 118.126 118.126 120.389 -2.263 25819 1377 1 4 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.653 -0.090 25819 1378 1 4 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.557 -2.690 25819 1379 1 4 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.840 -0.966 25819 1380 1 4 . 1 1 23 23 GLU H H 23 8.188 8.188 8.635 -0.447 25819 1381 1 4 . 1 1 24 24 ASN N N 24 125.841 125.841 121.583 4.258 25819 1382 1 4 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.253 -0.475 25819 1383 1 4 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.626 -0.115 25819 1384 1 4 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.859 -1.113 25819 1385 1 4 . 1 1 24 24 ASN H H 24 9.390 9.390 8.604 0.786 25819 1386 1 4 . 1 1 25 25 PHE N N 25 122.824 122.824 121.876 0.948 25819 1387 1 4 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.967 -0.316 25819 1388 1 4 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.154 0.969 25819 1389 1 4 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.093 -2.034 25819 1390 1 4 . 1 1 25 25 PHE H H 25 8.061 8.061 8.701 -0.640 25819 1391 1 4 . 1 1 26 26 LYS N N 26 119.114 119.114 119.343 -0.229 25819 1392 1 4 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.477 0.767 25819 1393 1 4 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.270 -3.293 25819 1394 1 4 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.031 -1.370 25819 1395 1 4 . 1 1 26 26 LYS H H 26 9.255 9.255 8.682 0.573 25819 1396 1 4 . 1 1 27 27 ALA N N 27 125.583 125.583 126.822 -1.239 25819 1397 1 4 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.689 -0.427 25819 1398 1 4 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.492 -1.675 25819 1399 1 4 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.353 -1.193 25819 1400 1 4 . 1 1 27 27 ALA H H 27 9.120 9.120 8.729 0.391 25819 1401 1 4 . 1 1 28 28 THR HA H 28 4.837 4.837 4.740 0.097 25819 1402 1 4 . 1 1 28 28 THR CA C 28 60.566 60.566 61.222 -0.656 25819 1403 1 4 . 1 1 28 28 THR CB C 28 69.478 69.478 70.447 -0.969 25819 1404 1 4 . 1 1 28 28 THR H H 28 9.062 9.062 8.398 0.664 25819 1405 1 4 . 1 1 29 29 GLY N N 29 115.789 115.789 113.538 2.251 25819 1406 1 4 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.925 0.392 25819 1407 1 4 . 1 1 29 29 GLY H H 29 9.662 9.662 9.279 0.383 25819 1408 1 4 . 1 1 30 30 ILE N N 30 123.084 123.084 123.268 -0.184 25819 1409 1 4 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.542 0.236 25819 1410 1 4 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.398 -1.010 25819 1411 1 4 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.820 -4.937 25819 1412 1 4 . 1 1 30 30 ILE H H 30 7.914 7.914 8.766 -0.852 25819 1413 1 4 . 1 1 31 31 PHE N N 31 125.209 125.209 122.479 2.730 25819 1414 1 4 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.127 0.243 25819 1415 1 4 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.487 -0.000 25819 1416 1 4 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.197 -1.044 25819 1417 1 4 . 1 1 31 31 PHE H H 31 8.316 8.316 8.339 -0.023 25819 1418 1 4 . 1 1 32 32 THR N N 32 113.842 113.842 116.529 -2.687 25819 1419 1 4 . 1 1 32 32 THR HA H 32 4.404 4.404 4.129 0.275 25819 1420 1 4 . 1 1 32 32 THR CA C 32 64.157 64.157 65.179 -1.022 25819 1421 1 4 . 1 1 32 32 THR CB C 32 68.540 68.540 68.992 -0.452 25819 1422 1 4 . 1 1 32 32 THR H H 32 9.335 9.335 8.839 0.496 25819 1423 1 4 . 1 1 33 33 ASP N N 33 118.799 118.799 118.944 -0.145 25819 1424 1 4 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.679 -0.058 25819 1425 1 4 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.502 -1.539 25819 1426 1 4 . 1 1 33 33 ASP CB C 33 38.494 38.494 39.363 -0.869 25819 1427 1 4 . 1 1 33 33 ASP H H 33 7.689 7.689 8.393 -0.704 25819 1428 1 4 . 1 1 34 34 ASN N N 34 112.993 112.993 115.092 -2.099 25819 1429 1 4 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.340 0.008 25819 1430 1 4 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.668 -0.322 25819 1431 1 4 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.748 -0.258 25819 1432 1 4 . 1 1 34 34 ASN H H 34 8.370 8.370 7.993 0.377 25819 1433 1 4 . 1 1 35 35 SER N N 35 115.543 115.543 115.558 -0.015 25819 1434 1 4 . 1 1 35 35 SER HA H 35 4.413 4.413 4.584 -0.171 25819 1435 1 4 . 1 1 35 35 SER CA C 35 57.882 57.882 57.593 0.289 25819 1436 1 4 . 1 1 35 35 SER CB C 35 63.770 63.770 63.920 -0.150 25819 1437 1 4 . 1 1 35 35 SER H H 35 7.990 7.990 8.460 -0.470 25819 1438 1 4 . 1 1 36 36 ASN N N 36 116.051 116.051 126.390 -10.339 25819 1439 1 4 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.996 -2.322 25819 1440 1 4 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.284 1.515 25819 1441 1 4 . 1 1 36 36 ASN H H 36 8.518 8.518 8.675 -0.157 25819 1442 1 4 . 1 1 37 37 SER N N 37 113.191 113.191 117.675 -4.484 25819 1443 1 4 . 1 1 37 37 SER HA H 37 4.715 4.715 4.698 0.017 25819 1444 1 4 . 1 1 37 37 SER CA C 37 56.801 56.801 57.305 -0.504 25819 1445 1 4 . 1 1 37 37 SER CB C 37 64.872 64.872 66.916 -2.044 25819 1446 1 4 . 1 1 37 37 SER H H 37 8.667 8.667 9.158 -0.491 25819 1447 1 4 . 1 1 38 38 ASP N N 38 123.961 123.961 123.701 0.260 25819 1448 1 4 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.787 0.200 25819 1449 1 4 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.142 1.059 25819 1450 1 4 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.008 -1.079 25819 1451 1 4 . 1 1 38 38 ASP H H 38 8.848 8.848 8.583 0.265 25819 1452 1 4 . 1 1 39 39 ILE N N 39 121.217 121.217 120.682 0.535 25819 1453 1 4 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.810 1.061 25819 1454 1 4 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.069 -2.362 25819 1455 1 4 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.964 1.122 25819 1456 1 4 . 1 1 39 39 ILE H H 39 8.815 8.815 8.369 0.446 25819 1457 1 4 . 1 1 40 40 THR N N 40 122.868 122.868 116.111 6.757 25819 1458 1 4 . 1 1 40 40 THR HA H 40 4.288 4.288 4.001 0.287 25819 1459 1 4 . 1 1 40 40 THR CB C 40 68.527 68.527 68.894 -0.367 25819 1460 1 4 . 1 1 40 40 THR H H 40 8.679 8.679 8.398 0.281 25819 1461 1 4 . 1 1 41 41 ASP N N 41 114.082 114.082 119.493 -5.411 25819 1462 1 4 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.836 -1.138 25819 1463 1 4 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.979 -0.501 25819 1464 1 4 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.709 -1.991 25819 1465 1 4 . 1 1 41 41 ASP H H 41 8.539 8.539 8.434 0.105 25819 1466 1 4 . 1 1 42 42 GLN N N 42 117.086 117.086 116.662 0.424 25819 1467 1 4 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.120 0.031 25819 1468 1 4 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.952 -0.416 25819 1469 1 4 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.015 3.201 25819 1470 1 4 . 1 1 42 42 GLN H H 42 7.718 7.718 7.604 0.114 25819 1471 1 4 . 1 1 43 43 VAL N N 43 109.916 109.916 122.449 -12.533 25819 1472 1 4 . 1 1 43 43 VAL HA H 43 4.089 4.089 3.928 0.161 25819 1473 1 4 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.402 -4.562 25819 1474 1 4 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.461 -1.188 25819 1475 1 4 . 1 1 43 43 VAL H H 43 6.902 6.902 8.322 -1.420 25819 1476 1 4 . 1 1 44 44 THR N N 44 116.273 116.273 126.672 -10.399 25819 1477 1 4 . 1 1 44 44 THR HA H 44 4.315 4.315 4.436 -0.121 25819 1478 1 4 . 1 1 44 44 THR CA C 44 61.651 61.651 62.955 -1.304 25819 1479 1 4 . 1 1 44 44 THR CB C 44 68.890 68.890 68.888 0.002 25819 1480 1 4 . 1 1 44 44 THR H H 44 8.787 8.787 8.590 0.197 25819 1481 1 4 . 1 1 45 45 TRP N N 45 132.098 132.098 124.167 7.931 25819 1482 1 4 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.917 0.328 25819 1483 1 4 . 1 1 45 45 TRP CA C 45 55.387 55.387 55.267 0.120 25819 1484 1 4 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.000 -0.923 25819 1485 1 4 . 1 1 45 45 TRP H H 45 10.351 10.351 8.130 2.221 25819 1486 1 4 . 1 1 46 46 ASP N N 46 121.897 121.897 121.313 0.584 25819 1487 1 4 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.038 -0.181 25819 1488 1 4 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.795 -0.998 25819 1489 1 4 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.548 -0.473 25819 1490 1 4 . 1 1 46 46 ASP H H 46 9.471 9.471 8.529 0.942 25819 1491 1 4 . 1 1 47 47 SER N N 47 113.803 113.803 118.265 -4.462 25819 1492 1 4 . 1 1 47 47 SER HA H 47 5.043 5.043 5.241 -0.198 25819 1493 1 4 . 1 1 47 47 SER CA C 47 53.059 53.059 57.042 -3.983 25819 1494 1 4 . 1 1 47 47 SER CB C 47 64.880 64.880 66.231 -1.351 25819 1495 1 4 . 1 1 47 47 SER H H 47 8.502 8.502 8.506 -0.004 25819 1496 1 4 . 1 1 48 48 SER N N 48 119.614 119.614 118.235 1.379 25819 1497 1 4 . 1 1 48 48 SER HA H 48 4.264 4.264 4.500 -0.236 25819 1498 1 4 . 1 1 48 48 SER CA C 48 59.404 59.404 59.394 0.010 25819 1499 1 4 . 1 1 48 48 SER CB C 48 62.026 62.026 63.713 -1.687 25819 1500 1 4 . 1 1 48 48 SER H H 48 8.517 8.517 8.581 -0.064 25819 1501 1 4 . 1 1 49 49 ASN N N 49 118.259 118.259 118.166 0.093 25819 1502 1 4 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.445 0.453 25819 1503 1 4 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.455 -1.614 25819 1504 1 4 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.237 -0.517 25819 1505 1 4 . 1 1 49 49 ASN H H 49 7.816 7.816 8.304 -0.488 25819 1506 1 4 . 1 1 50 50 THR N N 50 119.289 119.289 116.298 2.991 25819 1507 1 4 . 1 1 50 50 THR HA H 50 4.541 4.541 4.478 0.063 25819 1508 1 4 . 1 1 50 50 THR CA C 50 62.137 62.137 62.835 -0.698 25819 1509 1 4 . 1 1 50 50 THR CB C 50 67.100 67.100 69.608 -2.507 25819 1510 1 4 . 1 1 50 50 THR H H 50 9.049 9.049 8.536 0.513 25819 1511 1 4 . 1 1 51 51 ASP N N 51 118.825 118.825 119.352 -0.527 25819 1512 1 4 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.742 -0.156 25819 1513 1 4 . 1 1 51 51 ASP CA C 51 54.690 54.690 55.006 -0.316 25819 1514 1 4 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.254 -2.596 25819 1515 1 4 . 1 1 51 51 ASP H H 51 8.251 8.251 8.418 -0.167 25819 1516 1 4 . 1 1 52 52 ILE N N 52 118.411 118.411 119.833 -1.422 25819 1517 1 4 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.222 -0.297 25819 1518 1 4 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.702 -0.021 25819 1519 1 4 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.520 0.376 25819 1520 1 4 . 1 1 52 52 ILE H H 52 7.169 7.169 7.653 -0.484 25819 1521 1 4 . 1 1 53 53 LEU N N 53 120.128 120.128 124.034 -3.906 25819 1522 1 4 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.138 -0.117 25819 1523 1 4 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.706 -0.425 25819 1524 1 4 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.792 0.613 25819 1525 1 4 . 1 1 53 53 LEU H H 53 7.876 7.876 7.763 0.113 25819 1526 1 4 . 1 1 54 54 SER N N 54 122.251 122.251 116.380 5.871 25819 1527 1 4 . 1 1 54 54 SER HA H 54 4.959 4.959 4.818 0.141 25819 1528 1 4 . 1 1 54 54 SER CA C 54 54.724 54.724 57.064 -2.340 25819 1529 1 4 . 1 1 54 54 SER CB C 54 64.417 64.417 65.844 -1.427 25819 1530 1 4 . 1 1 54 54 SER H H 54 8.650 8.650 8.697 -0.047 25819 1531 1 4 . 1 1 55 55 ILE N N 55 123.973 123.973 123.863 0.110 25819 1532 1 4 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.180 0.721 25819 1533 1 4 . 1 1 55 55 ILE CA C 55 58.868 58.868 58.825 0.043 25819 1534 1 4 . 1 1 55 55 ILE CB C 55 41.418 41.418 38.817 2.601 25819 1535 1 4 . 1 1 55 55 ILE H H 55 9.082 9.082 8.240 0.842 25819 1536 1 4 . 1 1 56 56 SER N N 56 119.539 119.539 122.464 -2.925 25819 1537 1 4 . 1 1 56 56 SER HA H 56 4.387 4.387 3.988 0.399 25819 1538 1 4 . 1 1 56 56 SER CA C 56 56.626 56.626 57.084 -0.458 25819 1539 1 4 . 1 1 56 56 SER CB C 56 63.106 63.106 65.055 -1.949 25819 1540 1 4 . 1 1 56 56 SER H H 56 7.905 7.905 7.934 -0.029 25819 1541 1 4 . 1 1 57 57 ASN N N 57 124.209 124.209 123.352 0.857 25819 1542 1 4 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.671 0.348 25819 1543 1 4 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.989 -1.520 25819 1544 1 4 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.921 0.169 25819 1545 1 4 . 1 1 57 57 ASN H H 57 8.945 8.945 8.525 0.420 25819 1546 1 4 . 1 1 58 58 ALA N N 58 124.300 124.300 121.833 2.467 25819 1547 1 4 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.504 -0.371 25819 1548 1 4 . 1 1 58 58 ALA CA C 58 51.287 51.287 53.058 -1.771 25819 1549 1 4 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.370 -0.016 25819 1550 1 4 . 1 1 58 58 ALA H H 58 8.150 8.150 8.240 -0.090 25819 1551 1 4 . 1 1 59 59 SER N N 59 113.299 113.299 113.424 -0.125 25819 1552 1 4 . 1 1 59 59 SER HA H 59 4.698 4.698 4.172 0.526 25819 1553 1 4 . 1 1 59 59 SER CA C 59 60.003 60.003 60.698 -0.695 25819 1554 1 4 . 1 1 59 59 SER CB C 59 62.574 62.574 62.967 -0.393 25819 1555 1 4 . 1 1 59 59 SER H H 59 8.377 8.377 8.194 0.183 25819 1556 1 4 . 1 1 60 60 ASP N N 60 116.275 116.275 118.230 -1.955 25819 1557 1 4 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.676 -0.014 25819 1558 1 4 . 1 1 60 60 ASP CA C 60 52.759 52.759 55.128 -2.369 25819 1559 1 4 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.730 -2.018 25819 1560 1 4 . 1 1 60 60 ASP H H 60 8.311 8.311 7.922 0.389 25819 1561 1 4 . 1 1 61 61 SER N N 61 112.649 112.649 113.814 -1.165 25819 1562 1 4 . 1 1 61 61 SER HA H 61 4.630 4.630 4.439 0.191 25819 1563 1 4 . 1 1 61 61 SER CA C 61 56.180 56.180 59.109 -2.929 25819 1564 1 4 . 1 1 61 61 SER CB C 61 61.843 61.843 63.487 -1.644 25819 1565 1 4 . 1 1 61 61 SER H H 61 7.588 7.588 8.374 -0.786 25819 1566 1 4 . 1 1 62 62 HIS N N 62 119.790 119.790 122.432 -2.642 25819 1567 1 4 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.372 -0.325 25819 1568 1 4 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.511 1.408 25819 1569 1 4 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.596 -2.072 25819 1570 1 4 . 1 1 62 62 HIS H H 62 8.030 8.030 8.123 -0.093 25819 1571 1 4 . 1 1 63 63 GLY N N 63 113.301 113.301 107.718 5.583 25819 1572 1 4 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.000 -0.347 25819 1573 1 4 . 1 1 63 63 GLY H H 63 8.733 8.733 7.657 1.076 25819 1574 1 4 . 1 1 64 64 LEU N N 64 120.664 120.664 122.093 -1.429 25819 1575 1 4 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.261 -0.875 25819 1576 1 4 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.301 0.592 25819 1577 1 4 . 1 1 64 64 LEU CB C 64 41.463 41.463 47.168 -5.705 25819 1578 1 4 . 1 1 64 64 LEU H H 64 7.679 7.679 7.753 -0.074 25819 1579 1 4 . 1 1 65 65 ALA N N 65 108.347 108.347 121.506 -13.159 25819 1580 1 4 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.669 0.733 25819 1581 1 4 . 1 1 65 65 ALA CA C 65 49.267 49.267 51.359 -2.092 25819 1582 1 4 . 1 1 65 65 ALA CB C 65 21.555 21.555 22.132 -0.577 25819 1583 1 4 . 1 1 65 65 ALA H H 65 9.874 9.874 8.766 1.108 25819 1584 1 4 . 1 1 66 66 SER N N 66 115.951 115.951 118.712 -2.761 25819 1585 1 4 . 1 1 66 66 SER HA H 66 4.909 4.909 5.200 -0.291 25819 1586 1 4 . 1 1 66 66 SER CA C 66 56.645 56.645 56.847 -0.202 25819 1587 1 4 . 1 1 66 66 SER CB C 66 63.823 63.823 64.743 -0.920 25819 1588 1 4 . 1 1 66 66 SER H H 66 8.938 8.938 8.715 0.223 25819 1589 1 4 . 1 1 67 67 THR N N 67 113.595 113.595 120.977 -7.382 25819 1590 1 4 . 1 1 67 67 THR HA H 67 4.649 4.649 4.736 -0.087 25819 1591 1 4 . 1 1 67 67 THR CA C 67 59.216 59.216 60.425 -1.209 25819 1592 1 4 . 1 1 67 67 THR CB C 67 69.006 69.006 71.004 -1.998 25819 1593 1 4 . 1 1 67 67 THR H H 67 8.258 8.258 8.423 -0.165 25819 1594 1 4 . 1 1 68 68 LEU N N 68 124.152 124.152 125.525 -1.373 25819 1595 1 4 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.686 -0.330 25819 1596 1 4 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.491 0.621 25819 1597 1 4 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.656 1.259 25819 1598 1 4 . 1 1 68 68 LEU H H 68 8.616 8.616 8.306 0.310 25819 1599 1 4 . 1 1 69 69 ASN N N 69 115.821 115.821 118.263 -2.442 25819 1600 1 4 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.951 -0.307 25819 1601 1 4 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.459 -0.003 25819 1602 1 4 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.121 2.185 25819 1603 1 4 . 1 1 69 69 ASN H H 69 7.965 7.965 7.613 0.352 25819 1604 1 4 . 1 1 70 70 GLN N N 70 114.564 114.564 116.562 -1.998 25819 1605 1 4 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.632 -0.707 25819 1606 1 4 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.240 -0.003 25819 1607 1 4 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.740 0.266 25819 1608 1 4 . 1 1 70 70 GLN H H 70 8.287 8.287 8.610 -0.323 25819 1609 1 4 . 1 1 71 71 GLY N N 71 108.006 108.006 108.149 -0.143 25819 1610 1 4 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.898 -1.212 25819 1611 1 4 . 1 1 71 71 GLY H H 71 8.520 8.520 7.735 0.785 25819 1612 1 4 . 1 1 72 72 ASN N N 72 117.784 117.784 120.330 -2.546 25819 1613 1 4 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.308 0.165 25819 1614 1 4 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.192 -0.501 25819 1615 1 4 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.424 -1.528 25819 1616 1 4 . 1 1 72 72 ASN H H 72 8.420 8.420 8.384 0.036 25819 1617 1 4 . 1 1 73 73 VAL N N 73 115.849 115.849 119.176 -3.327 25819 1618 1 4 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.601 -0.070 25819 1619 1 4 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.435 -1.460 25819 1620 1 4 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.273 0.906 25819 1621 1 4 . 1 1 73 73 VAL H H 73 8.990 8.990 8.970 0.020 25819 1622 1 4 . 1 1 74 74 LYS N N 74 123.196 123.196 126.653 -3.457 25819 1623 1 4 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.583 0.573 25819 1624 1 4 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.908 -1.027 25819 1625 1 4 . 1 1 74 74 LYS CB C 74 33.597 33.597 32.415 1.182 25819 1626 1 4 . 1 1 74 74 LYS H H 74 8.716 8.716 8.705 0.011 25819 1627 1 4 . 1 1 75 75 VAL N N 75 129.522 129.522 129.648 -0.126 25819 1628 1 4 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.565 -0.023 25819 1629 1 4 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.573 -0.757 25819 1630 1 4 . 1 1 75 75 VAL CB C 75 32.483 32.483 31.983 0.500 25819 1631 1 4 . 1 1 75 75 VAL H H 75 8.975 8.975 8.427 0.548 25819 1632 1 4 . 1 1 76 76 THR N N 76 120.548 120.548 123.044 -2.496 25819 1633 1 4 . 1 1 76 76 THR HA H 76 5.066 5.066 4.961 0.105 25819 1634 1 4 . 1 1 76 76 THR CA C 76 59.783 59.783 60.070 -0.287 25819 1635 1 4 . 1 1 76 76 THR CB C 76 70.733 70.733 70.484 0.249 25819 1636 1 4 . 1 1 76 76 THR H H 76 8.650 8.650 8.932 -0.282 25819 1637 1 4 . 1 1 77 77 ALA N N 77 126.454 126.454 128.241 -1.787 25819 1638 1 4 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.332 -0.952 25819 1639 1 4 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.600 -2.170 25819 1640 1 4 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.352 -1.808 25819 1641 1 4 . 1 1 77 77 ALA H H 77 8.674 8.674 8.953 -0.279 25819 1642 1 4 . 1 1 78 78 SER N N 78 113.568 113.568 118.085 -4.517 25819 1643 1 4 . 1 1 78 78 SER HA H 78 5.376 5.376 4.913 0.463 25819 1644 1 4 . 1 1 78 78 SER CA C 78 56.077 56.077 57.601 -1.524 25819 1645 1 4 . 1 1 78 78 SER CB C 78 65.730 65.730 66.022 -0.292 25819 1646 1 4 . 1 1 78 78 SER H H 78 8.117 8.117 8.826 -0.709 25819 1647 1 4 . 1 1 79 79 ILE N N 79 121.071 121.071 124.056 -2.985 25819 1648 1 4 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.461 -0.320 25819 1649 1 4 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.655 1.469 25819 1650 1 4 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.443 -2.634 25819 1651 1 4 . 1 1 79 79 ILE H H 79 8.446 8.446 7.803 0.643 25819 1652 1 4 . 1 1 80 80 GLY N N 80 117.157 117.157 114.777 2.380 25819 1653 1 4 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.585 -0.579 25819 1654 1 4 . 1 1 80 80 GLY H H 80 8.899 8.899 8.725 0.174 25819 1655 1 4 . 1 1 81 81 GLY N N 81 110.715 110.715 111.007 -0.292 25819 1656 1 4 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.228 -0.850 25819 1657 1 4 . 1 1 81 81 GLY H H 81 8.742 8.742 8.041 0.701 25819 1658 1 4 . 1 1 82 82 ILE N N 82 124.113 124.113 122.215 1.898 25819 1659 1 4 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.227 -0.027 25819 1660 1 4 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.677 -0.644 25819 1661 1 4 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.487 -1.710 25819 1662 1 4 . 1 1 82 82 ILE H H 82 8.188 8.188 7.853 0.335 25819 1663 1 4 . 1 1 83 83 GLN N N 83 122.455 122.455 120.927 1.528 25819 1664 1 4 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.632 0.763 25819 1665 1 4 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.111 -1.091 25819 1666 1 4 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.522 -0.007 25819 1667 1 4 . 1 1 83 83 GLN H H 83 8.423 8.423 8.222 0.201 25819 1668 1 4 . 1 1 84 84 GLY N N 84 111.437 111.437 107.908 3.529 25819 1669 1 4 . 1 1 84 84 GLY H H 84 8.931 8.931 9.019 -0.088 25819 1670 1 4 . 1 1 85 85 SER N N 85 113.878 113.878 115.832 -1.954 25819 1671 1 4 . 1 1 85 85 SER HA H 85 5.841 5.841 5.258 0.583 25819 1672 1 4 . 1 1 85 85 SER CA C 85 56.264 56.264 57.161 -0.897 25819 1673 1 4 . 1 1 85 85 SER CB C 85 66.946 66.946 65.777 1.169 25819 1674 1 4 . 1 1 85 85 SER H H 85 8.710 8.710 8.321 0.389 25819 1675 1 4 . 1 1 86 86 THR N N 86 115.389 115.389 116.070 -0.681 25819 1676 1 4 . 1 1 86 86 THR HA H 86 4.772 4.772 4.566 0.206 25819 1677 1 4 . 1 1 86 86 THR CA C 86 60.313 60.313 61.365 -1.052 25819 1678 1 4 . 1 1 86 86 THR CB C 86 69.852 69.852 71.861 -2.009 25819 1679 1 4 . 1 1 86 86 THR H H 86 8.854 8.854 9.039 -0.185 25819 1680 1 4 . 1 1 87 87 ASP N N 87 124.623 124.623 122.495 2.128 25819 1681 1 4 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.919 0.517 25819 1682 1 4 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.265 0.531 25819 1683 1 4 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.825 -0.816 25819 1684 1 4 . 1 1 87 87 ASP H H 87 7.953 7.953 8.316 -0.363 25819 1685 1 4 . 1 1 88 88 PHE N N 88 123.574 123.574 123.277 0.297 25819 1686 1 4 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.544 -0.613 25819 1687 1 4 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.435 0.533 25819 1688 1 4 . 1 1 88 88 PHE CB C 88 42.884 42.884 44.027 -1.143 25819 1689 1 4 . 1 1 88 88 PHE H H 88 9.094 9.094 8.708 0.386 25819 1690 1 4 . 1 1 89 89 LYS N N 89 126.965 126.965 123.839 3.126 25819 1691 1 4 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.988 0.050 25819 1692 1 4 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.480 -1.591 25819 1693 1 4 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.142 -0.473 25819 1694 1 4 . 1 1 89 89 LYS H H 89 7.269 7.269 8.463 -1.194 25819 1695 1 4 . 1 1 90 90 VAL N N 90 126.148 126.148 129.935 -3.787 25819 1696 1 4 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.235 -0.224 25819 1697 1 4 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.811 -1.264 25819 1698 1 4 . 1 1 90 90 VAL CB C 90 30.948 30.948 33.206 -2.258 25819 1699 1 4 . 1 1 90 90 VAL H H 90 9.086 9.086 8.742 0.344 25819 1700 1 4 . 1 1 91 91 THR N N 91 120.505 120.505 122.427 -1.922 25819 1701 1 4 . 1 1 91 91 THR HA H 91 4.568 4.568 4.656 -0.088 25819 1702 1 4 . 1 1 91 91 THR CA C 91 59.348 59.348 60.444 -1.096 25819 1703 1 4 . 1 1 91 91 THR CB C 91 68.970 68.970 70.274 -1.304 25819 1704 1 4 . 1 1 91 91 THR H H 91 8.757 8.757 8.278 0.479 25819 1705 1 5 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.606 -0.329 25819 1706 1 5 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.984 -1.763 25819 1707 1 5 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.483 -1.067 25819 1708 1 5 . 1 1 3 3 ALA N N 3 123.804 123.804 122.512 1.292 25819 1709 1 5 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.409 -0.203 25819 1710 1 5 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.136 -0.741 25819 1711 1 5 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.592 -1.752 25819 1712 1 5 . 1 1 3 3 ALA H H 3 8.647 8.647 8.024 0.623 25819 1713 1 5 . 1 1 4 4 ALA N N 4 124.058 124.058 124.524 -0.466 25819 1714 1 5 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.932 -0.223 25819 1715 1 5 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.913 -0.891 25819 1716 1 5 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.289 -1.392 25819 1717 1 5 . 1 1 4 4 ALA H H 4 8.239 8.239 8.531 -0.292 25819 1718 1 5 . 1 1 5 5 LEU N N 5 124.018 124.018 122.151 1.867 25819 1719 1 5 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.034 -0.662 25819 1720 1 5 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.577 -1.569 25819 1721 1 5 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.172 -0.930 25819 1722 1 5 . 1 1 5 5 LEU H H 5 8.560 8.560 8.680 -0.120 25819 1723 1 5 . 1 1 6 6 VAL N N 6 123.357 123.357 119.154 4.203 25819 1724 1 5 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.149 -0.052 25819 1725 1 5 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.768 -0.428 25819 1726 1 5 . 1 1 6 6 VAL CB C 6 32.948 32.948 34.082 -1.134 25819 1727 1 5 . 1 1 6 6 VAL H H 6 9.119 9.119 8.074 1.045 25819 1728 1 5 . 1 1 7 7 SER N N 7 112.137 112.137 113.511 -1.374 25819 1729 1 5 . 1 1 7 7 SER HA H 7 4.445 4.445 4.707 -0.262 25819 1730 1 5 . 1 1 7 7 SER CA C 7 56.349 56.349 57.943 -1.594 25819 1731 1 5 . 1 1 7 7 SER CB C 7 64.361 64.361 66.044 -1.683 25819 1732 1 5 . 1 1 7 7 SER H H 7 7.680 7.680 7.541 0.139 25819 1733 1 5 . 1 1 8 8 ILE N N 8 118.674 118.674 115.914 2.760 25819 1734 1 5 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.226 -0.553 25819 1735 1 5 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.641 -0.495 25819 1736 1 5 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.611 -0.938 25819 1737 1 5 . 1 1 8 8 ILE H H 8 8.354 8.354 8.079 0.275 25819 1738 1 5 . 1 1 9 9 SER N N 9 121.319 121.319 121.054 0.265 25819 1739 1 5 . 1 1 9 9 SER HA H 9 4.863 4.863 4.917 -0.054 25819 1740 1 5 . 1 1 9 9 SER CA C 9 55.381 55.381 57.950 -2.569 25819 1741 1 5 . 1 1 9 9 SER CB C 9 64.243 64.243 63.733 0.510 25819 1742 1 5 . 1 1 9 9 SER H H 9 9.028 9.028 8.646 0.382 25819 1743 1 5 . 1 1 10 10 VAL N N 10 127.509 127.509 120.921 6.588 25819 1744 1 5 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.800 0.250 25819 1745 1 5 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.038 0.874 25819 1746 1 5 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.121 -0.734 25819 1747 1 5 . 1 1 10 10 VAL H H 10 8.911 8.911 8.649 0.262 25819 1748 1 5 . 1 1 11 11 SER N N 11 121.860 121.860 122.197 -0.337 25819 1749 1 5 . 1 1 11 11 SER CB C 11 64.373 64.373 63.081 1.292 25819 1750 1 5 . 1 1 11 11 SER H H 11 9.206 9.206 8.731 0.475 25819 1751 1 5 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.275 0.429 25819 1752 1 5 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.584 -1.685 25819 1753 1 5 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.270 1.819 25819 1754 1 5 . 1 1 13 13 THR N N 13 116.137 116.137 117.044 -0.907 25819 1755 1 5 . 1 1 13 13 THR HA H 13 4.770 4.770 4.538 0.232 25819 1756 1 5 . 1 1 13 13 THR CA C 13 60.153 60.153 61.311 -1.158 25819 1757 1 5 . 1 1 13 13 THR CB C 13 69.426 69.426 70.804 -1.378 25819 1758 1 5 . 1 1 13 13 THR H H 13 8.679 8.679 8.256 0.423 25819 1759 1 5 . 1 1 14 14 ASN N N 14 124.457 124.457 125.070 -0.613 25819 1760 1 5 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.095 -0.400 25819 1761 1 5 . 1 1 14 14 ASN CA C 14 53.128 53.128 51.895 1.233 25819 1762 1 5 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.807 -2.214 25819 1763 1 5 . 1 1 14 14 ASN H H 14 8.710 8.710 8.765 -0.055 25819 1764 1 5 . 1 1 15 15 SER N N 15 113.673 113.673 116.414 -2.741 25819 1765 1 5 . 1 1 15 15 SER HA H 15 4.648 4.648 4.471 0.177 25819 1766 1 5 . 1 1 15 15 SER CA C 15 55.644 55.644 57.051 -1.407 25819 1767 1 5 . 1 1 15 15 SER CB C 15 63.953 63.953 64.350 -0.397 25819 1768 1 5 . 1 1 15 15 SER H H 15 9.127 9.127 7.485 1.642 25819 1769 1 5 . 1 1 16 16 THR N N 16 113.579 113.579 115.664 -2.085 25819 1770 1 5 . 1 1 16 16 THR HA H 16 4.976 4.976 4.913 0.063 25819 1771 1 5 . 1 1 16 16 THR CA C 16 58.445 58.445 60.965 -2.520 25819 1772 1 5 . 1 1 16 16 THR CB C 16 70.534 70.534 69.993 0.541 25819 1773 1 5 . 1 1 16 16 THR H H 16 7.962 7.962 8.144 -0.182 25819 1774 1 5 . 1 1 17 17 VAL N N 17 121.479 121.479 125.559 -4.080 25819 1775 1 5 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.466 -0.146 25819 1776 1 5 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.333 0.604 25819 1777 1 5 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.774 -0.370 25819 1778 1 5 . 1 1 17 17 VAL H H 17 7.969 7.969 8.903 -0.934 25819 1779 1 5 . 1 1 18 18 ALA N N 18 126.014 126.014 127.383 -1.369 25819 1780 1 5 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.762 -0.587 25819 1781 1 5 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.664 -0.701 25819 1782 1 5 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.775 -0.853 25819 1783 1 5 . 1 1 18 18 ALA H H 18 7.756 7.756 8.272 -0.516 25819 1784 1 5 . 1 1 19 19 LYS N N 19 119.741 119.741 122.529 -2.788 25819 1785 1 5 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.930 -0.443 25819 1786 1 5 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.523 0.249 25819 1787 1 5 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.788 -1.186 25819 1788 1 5 . 1 1 19 19 LYS H H 19 7.892 7.892 8.157 -0.265 25819 1789 1 5 . 1 1 20 20 GLY N N 20 116.709 116.709 114.663 2.046 25819 1790 1 5 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.252 -1.489 25819 1791 1 5 . 1 1 20 20 GLY H H 20 8.615 8.615 8.644 -0.029 25819 1792 1 5 . 1 1 21 21 LEU N N 21 123.004 123.004 123.566 -0.562 25819 1793 1 5 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.537 0.051 25819 1794 1 5 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.764 -1.399 25819 1795 1 5 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.951 -4.989 25819 1796 1 5 . 1 1 21 21 LEU H H 21 8.013 8.013 7.820 0.193 25819 1797 1 5 . 1 1 22 22 GLN N N 22 117.503 117.503 120.168 -2.665 25819 1798 1 5 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.210 -0.082 25819 1799 1 5 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.415 -0.746 25819 1800 1 5 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.465 -0.551 25819 1801 1 5 . 1 1 22 22 GLN H H 22 8.223 8.223 8.469 -0.246 25819 1802 1 5 . 1 1 23 23 GLU N N 23 118.126 118.126 122.862 -4.736 25819 1803 1 5 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.515 0.048 25819 1804 1 5 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.167 -1.300 25819 1805 1 5 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.177 -0.303 25819 1806 1 5 . 1 1 23 23 GLU H H 23 8.188 8.188 8.669 -0.481 25819 1807 1 5 . 1 1 24 24 ASN N N 24 125.841 125.841 120.780 5.061 25819 1808 1 5 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.640 0.138 25819 1809 1 5 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.078 -0.567 25819 1810 1 5 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.674 0.072 25819 1811 1 5 . 1 1 24 24 ASN H H 24 9.390 9.390 8.281 1.109 25819 1812 1 5 . 1 1 25 25 PHE N N 25 122.824 122.824 120.281 2.543 25819 1813 1 5 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.674 -0.023 25819 1814 1 5 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.668 0.455 25819 1815 1 5 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.164 -4.105 25819 1816 1 5 . 1 1 25 25 PHE H H 25 8.061 8.061 8.644 -0.583 25819 1817 1 5 . 1 1 26 26 LYS N N 26 119.114 119.114 119.445 -0.331 25819 1818 1 5 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.760 0.484 25819 1819 1 5 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.039 -3.063 25819 1820 1 5 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.582 -1.921 25819 1821 1 5 . 1 1 26 26 LYS H H 26 9.255 9.255 8.670 0.585 25819 1822 1 5 . 1 1 27 27 ALA N N 27 125.583 125.583 125.233 0.350 25819 1823 1 5 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.546 -0.284 25819 1824 1 5 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.933 -2.116 25819 1825 1 5 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.493 -1.333 25819 1826 1 5 . 1 1 27 27 ALA H H 27 9.120 9.120 8.735 0.385 25819 1827 1 5 . 1 1 28 28 THR HA H 28 4.837 4.837 4.738 0.099 25819 1828 1 5 . 1 1 28 28 THR CA C 28 60.566 60.566 61.654 -1.087 25819 1829 1 5 . 1 1 28 28 THR CB C 28 69.478 69.478 70.154 -0.676 25819 1830 1 5 . 1 1 28 28 THR H H 28 9.062 9.062 8.543 0.519 25819 1831 1 5 . 1 1 29 29 GLY N N 29 115.789 115.789 113.909 1.880 25819 1832 1 5 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.958 0.358 25819 1833 1 5 . 1 1 29 29 GLY H H 29 9.662 9.662 9.189 0.473 25819 1834 1 5 . 1 1 30 30 ILE N N 30 123.084 123.084 122.024 1.060 25819 1835 1 5 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.462 0.316 25819 1836 1 5 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.378 1.010 25819 1837 1 5 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.316 -3.433 25819 1838 1 5 . 1 1 30 30 ILE H H 30 7.914 7.914 8.322 -0.408 25819 1839 1 5 . 1 1 31 31 PHE N N 31 125.209 125.209 120.974 4.235 25819 1840 1 5 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.203 0.167 25819 1841 1 5 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.971 -0.484 25819 1842 1 5 . 1 1 31 31 PHE CB C 31 41.153 41.153 43.079 -1.926 25819 1843 1 5 . 1 1 31 31 PHE H H 31 8.316 8.316 8.288 0.028 25819 1844 1 5 . 1 1 32 32 THR N N 32 113.842 113.842 116.976 -3.134 25819 1845 1 5 . 1 1 32 32 THR HA H 32 4.404 4.404 4.143 0.261 25819 1846 1 5 . 1 1 32 32 THR CA C 32 64.157 64.157 65.105 -0.948 25819 1847 1 5 . 1 1 32 32 THR CB C 32 68.540 68.540 69.028 -0.488 25819 1848 1 5 . 1 1 32 32 THR H H 32 9.335 9.335 8.945 0.390 25819 1849 1 5 . 1 1 33 33 ASP N N 33 118.799 118.799 119.933 -1.134 25819 1850 1 5 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.733 -0.112 25819 1851 1 5 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.394 -1.431 25819 1852 1 5 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.432 -1.938 25819 1853 1 5 . 1 1 33 33 ASP H H 33 7.689 7.689 8.373 -0.684 25819 1854 1 5 . 1 1 34 34 ASN N N 34 112.993 112.993 113.694 -0.701 25819 1855 1 5 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.393 -0.045 25819 1856 1 5 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.395 -0.049 25819 1857 1 5 . 1 1 34 34 ASN CB C 34 36.490 36.490 37.130 -0.640 25819 1858 1 5 . 1 1 34 34 ASN H H 34 8.370 8.370 7.887 0.483 25819 1859 1 5 . 1 1 35 35 SER N N 35 115.543 115.543 114.724 0.819 25819 1860 1 5 . 1 1 35 35 SER HA H 35 4.413 4.413 4.619 -0.206 25819 1861 1 5 . 1 1 35 35 SER CA C 35 57.882 57.882 57.336 0.546 25819 1862 1 5 . 1 1 35 35 SER CB C 35 63.770 63.770 63.831 -0.061 25819 1863 1 5 . 1 1 35 35 SER H H 35 7.990 7.990 8.089 -0.099 25819 1864 1 5 . 1 1 36 36 ASN N N 36 116.051 116.051 123.530 -7.479 25819 1865 1 5 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.815 -2.141 25819 1866 1 5 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.820 1.979 25819 1867 1 5 . 1 1 36 36 ASN H H 36 8.518 8.518 8.553 -0.035 25819 1868 1 5 . 1 1 37 37 SER N N 37 113.191 113.191 116.301 -3.110 25819 1869 1 5 . 1 1 37 37 SER HA H 37 4.715 4.715 4.742 -0.027 25819 1870 1 5 . 1 1 37 37 SER CA C 37 56.801 56.801 57.381 -0.580 25819 1871 1 5 . 1 1 37 37 SER CB C 37 64.872 64.872 65.848 -0.976 25819 1872 1 5 . 1 1 37 37 SER H H 37 8.667 8.667 8.567 0.100 25819 1873 1 5 . 1 1 38 38 ASP N N 38 123.961 123.961 121.844 2.117 25819 1874 1 5 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.782 0.205 25819 1875 1 5 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.750 0.451 25819 1876 1 5 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.420 -1.491 25819 1877 1 5 . 1 1 38 38 ASP H H 38 8.848 8.848 8.561 0.287 25819 1878 1 5 . 1 1 39 39 ILE N N 39 121.217 121.217 120.383 0.834 25819 1879 1 5 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.786 1.085 25819 1880 1 5 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.347 -2.640 25819 1881 1 5 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.756 1.330 25819 1882 1 5 . 1 1 39 39 ILE H H 39 8.815 8.815 8.927 -0.112 25819 1883 1 5 . 1 1 40 40 THR N N 40 122.868 122.868 116.373 6.495 25819 1884 1 5 . 1 1 40 40 THR HA H 40 4.288 4.288 4.030 0.258 25819 1885 1 5 . 1 1 40 40 THR CB C 40 68.527 68.527 69.048 -0.521 25819 1886 1 5 . 1 1 40 40 THR H H 40 8.679 8.679 8.374 0.305 25819 1887 1 5 . 1 1 41 41 ASP N N 41 114.082 114.082 118.756 -4.674 25819 1888 1 5 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.847 -1.149 25819 1889 1 5 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.172 -0.694 25819 1890 1 5 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.941 -2.223 25819 1891 1 5 . 1 1 41 41 ASP H H 41 8.539 8.539 8.434 0.105 25819 1892 1 5 . 1 1 42 42 GLN N N 42 117.086 117.086 117.383 -0.297 25819 1893 1 5 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.102 0.049 25819 1894 1 5 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.026 -0.490 25819 1895 1 5 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.543 2.673 25819 1896 1 5 . 1 1 42 42 GLN H H 42 7.718 7.718 7.503 0.215 25819 1897 1 5 . 1 1 43 43 VAL N N 43 109.916 109.916 122.965 -13.049 25819 1898 1 5 . 1 1 43 43 VAL HA H 43 4.089 4.089 3.903 0.186 25819 1899 1 5 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.492 -3.652 25819 1900 1 5 . 1 1 43 43 VAL CB C 43 31.273 31.273 31.885 -0.612 25819 1901 1 5 . 1 1 43 43 VAL H H 43 6.902 6.902 8.133 -1.231 25819 1902 1 5 . 1 1 44 44 THR N N 44 116.273 116.273 125.684 -9.411 25819 1903 1 5 . 1 1 44 44 THR HA H 44 4.315 4.315 4.470 -0.155 25819 1904 1 5 . 1 1 44 44 THR CA C 44 61.651 61.651 61.515 0.136 25819 1905 1 5 . 1 1 44 44 THR CB C 44 68.890 68.890 69.097 -0.207 25819 1906 1 5 . 1 1 44 44 THR H H 44 8.787 8.787 7.614 1.173 25819 1907 1 5 . 1 1 45 45 TRP N N 45 132.098 132.098 126.761 5.337 25819 1908 1 5 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.679 0.566 25819 1909 1 5 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.226 -0.839 25819 1910 1 5 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.035 -0.958 25819 1911 1 5 . 1 1 45 45 TRP H H 45 10.351 10.351 8.465 1.886 25819 1912 1 5 . 1 1 46 46 ASP N N 46 121.897 121.897 122.407 -0.510 25819 1913 1 5 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.991 -0.134 25819 1914 1 5 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.664 -0.868 25819 1915 1 5 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.256 -0.181 25819 1916 1 5 . 1 1 46 46 ASP H H 46 9.471 9.471 8.508 0.963 25819 1917 1 5 . 1 1 47 47 SER N N 47 113.803 113.803 116.132 -2.329 25819 1918 1 5 . 1 1 47 47 SER HA H 47 5.043 5.043 5.328 -0.285 25819 1919 1 5 . 1 1 47 47 SER CA C 47 53.059 53.059 57.246 -4.188 25819 1920 1 5 . 1 1 47 47 SER CB C 47 64.880 64.880 65.204 -0.324 25819 1921 1 5 . 1 1 47 47 SER H H 47 8.502 8.502 8.480 0.022 25819 1922 1 5 . 1 1 48 48 SER N N 48 119.614 119.614 121.119 -1.505 25819 1923 1 5 . 1 1 48 48 SER HA H 48 4.264 4.264 4.278 -0.014 25819 1924 1 5 . 1 1 48 48 SER CA C 48 59.404 59.404 60.554 -1.150 25819 1925 1 5 . 1 1 48 48 SER CB C 48 62.026 62.026 63.949 -1.923 25819 1926 1 5 . 1 1 48 48 SER H H 48 8.517 8.517 8.776 -0.259 25819 1927 1 5 . 1 1 49 49 ASN N N 49 118.259 118.259 114.821 3.438 25819 1928 1 5 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.742 0.156 25819 1929 1 5 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.830 -0.989 25819 1930 1 5 . 1 1 49 49 ASN CB C 49 37.720 37.720 40.387 -2.667 25819 1931 1 5 . 1 1 49 49 ASN H H 49 7.816 7.816 8.263 -0.447 25819 1932 1 5 . 1 1 50 50 THR N N 50 119.289 119.289 112.282 7.007 25819 1933 1 5 . 1 1 50 50 THR HA H 50 4.541 4.541 4.558 -0.017 25819 1934 1 5 . 1 1 50 50 THR CA C 50 62.137 62.137 63.262 -1.125 25819 1935 1 5 . 1 1 50 50 THR CB C 50 67.100 67.100 69.209 -2.109 25819 1936 1 5 . 1 1 50 50 THR H H 50 9.049 9.049 8.328 0.721 25819 1937 1 5 . 1 1 51 51 ASP N N 51 118.825 118.825 121.377 -2.552 25819 1938 1 5 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.866 -0.280 25819 1939 1 5 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.735 -0.045 25819 1940 1 5 . 1 1 51 51 ASP CB C 51 39.658 39.658 44.559 -4.901 25819 1941 1 5 . 1 1 51 51 ASP H H 51 8.251 8.251 8.967 -0.716 25819 1942 1 5 . 1 1 52 52 ILE N N 52 118.411 118.411 120.024 -1.613 25819 1943 1 5 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.232 -0.307 25819 1944 1 5 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.935 -0.254 25819 1945 1 5 . 1 1 52 52 ILE CB C 52 38.896 38.896 40.084 -1.188 25819 1946 1 5 . 1 1 52 52 ILE H H 52 7.169 7.169 8.156 -0.987 25819 1947 1 5 . 1 1 53 53 LEU N N 53 120.128 120.128 125.455 -5.327 25819 1948 1 5 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.028 -0.007 25819 1949 1 5 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.459 -0.178 25819 1950 1 5 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.754 1.651 25819 1951 1 5 . 1 1 53 53 LEU H H 53 7.876 7.876 7.961 -0.085 25819 1952 1 5 . 1 1 54 54 SER N N 54 122.251 122.251 117.989 4.262 25819 1953 1 5 . 1 1 54 54 SER HA H 54 4.959 4.959 4.803 0.156 25819 1954 1 5 . 1 1 54 54 SER CA C 54 54.724 54.724 57.352 -2.628 25819 1955 1 5 . 1 1 54 54 SER CB C 54 64.417 64.417 66.168 -1.751 25819 1956 1 5 . 1 1 54 54 SER H H 54 8.650 8.650 8.619 0.031 25819 1957 1 5 . 1 1 55 55 ILE N N 55 123.973 123.973 124.455 -0.482 25819 1958 1 5 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.282 0.619 25819 1959 1 5 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.971 -1.103 25819 1960 1 5 . 1 1 55 55 ILE CB C 55 41.418 41.418 41.133 0.285 25819 1961 1 5 . 1 1 55 55 ILE H H 55 9.082 9.082 8.565 0.517 25819 1962 1 5 . 1 1 56 56 SER N N 56 119.539 119.539 123.728 -4.189 25819 1963 1 5 . 1 1 56 56 SER HA H 56 4.387 4.387 4.859 -0.472 25819 1964 1 5 . 1 1 56 56 SER CA C 56 56.626 56.626 57.784 -1.158 25819 1965 1 5 . 1 1 56 56 SER CB C 56 63.106 63.106 64.944 -1.838 25819 1966 1 5 . 1 1 56 56 SER H H 56 7.905 7.905 8.240 -0.335 25819 1967 1 5 . 1 1 57 57 ASN N N 57 124.209 124.209 122.255 1.954 25819 1968 1 5 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.202 -0.183 25819 1969 1 5 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.365 -0.896 25819 1970 1 5 . 1 1 57 57 ASN CB C 57 40.090 40.090 40.323 -0.233 25819 1971 1 5 . 1 1 57 57 ASN H H 57 8.945 8.945 9.039 -0.094 25819 1972 1 5 . 1 1 58 58 ALA N N 58 124.300 124.300 121.115 3.185 25819 1973 1 5 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.657 -0.524 25819 1974 1 5 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.236 -0.949 25819 1975 1 5 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.401 -1.047 25819 1976 1 5 . 1 1 58 58 ALA H H 58 8.150 8.150 7.886 0.264 25819 1977 1 5 . 1 1 59 59 SER N N 59 113.299 113.299 114.916 -1.617 25819 1978 1 5 . 1 1 59 59 SER HA H 59 4.698 4.698 4.309 0.389 25819 1979 1 5 . 1 1 59 59 SER CA C 59 60.003 60.003 60.204 -0.201 25819 1980 1 5 . 1 1 59 59 SER CB C 59 62.574 62.574 63.550 -0.976 25819 1981 1 5 . 1 1 59 59 SER H H 59 8.377 8.377 8.533 -0.156 25819 1982 1 5 . 1 1 60 60 ASP N N 60 116.275 116.275 116.979 -0.704 25819 1983 1 5 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.721 -0.059 25819 1984 1 5 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.939 -2.180 25819 1985 1 5 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.332 -1.620 25819 1986 1 5 . 1 1 60 60 ASP H H 60 8.311 8.311 7.845 0.466 25819 1987 1 5 . 1 1 61 61 SER N N 61 112.649 112.649 112.451 0.198 25819 1988 1 5 . 1 1 61 61 SER HA H 61 4.630 4.630 4.340 0.290 25819 1989 1 5 . 1 1 61 61 SER CA C 61 56.180 56.180 59.156 -2.976 25819 1990 1 5 . 1 1 61 61 SER CB C 61 61.843 61.843 62.617 -0.774 25819 1991 1 5 . 1 1 61 61 SER H H 61 7.588 7.588 8.290 -0.702 25819 1992 1 5 . 1 1 62 62 HIS N N 62 119.790 119.790 118.178 1.612 25819 1993 1 5 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.767 -0.720 25819 1994 1 5 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.489 1.430 25819 1995 1 5 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.630 -3.106 25819 1996 1 5 . 1 1 62 62 HIS H H 62 8.030 8.030 8.067 -0.037 25819 1997 1 5 . 1 1 63 63 GLY N N 63 113.301 113.301 109.594 3.707 25819 1998 1 5 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.507 -0.854 25819 1999 1 5 . 1 1 63 63 GLY H H 63 8.733 8.733 8.621 0.112 25819 2000 1 5 . 1 1 64 64 LEU N N 64 120.664 120.664 124.104 -3.440 25819 2001 1 5 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.340 -0.954 25819 2002 1 5 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.210 1.683 25819 2003 1 5 . 1 1 64 64 LEU CB C 64 41.463 41.463 46.478 -5.015 25819 2004 1 5 . 1 1 64 64 LEU H H 64 7.679 7.679 7.386 0.293 25819 2005 1 5 . 1 1 65 65 ALA N N 65 108.347 108.347 121.984 -13.637 25819 2006 1 5 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.667 0.735 25819 2007 1 5 . 1 1 65 65 ALA CA C 65 49.267 49.267 51.197 -1.931 25819 2008 1 5 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.390 0.165 25819 2009 1 5 . 1 1 65 65 ALA H H 65 9.874 9.874 8.685 1.189 25819 2010 1 5 . 1 1 66 66 SER N N 66 115.951 115.951 120.740 -4.789 25819 2011 1 5 . 1 1 66 66 SER HA H 66 4.909 4.909 5.088 -0.179 25819 2012 1 5 . 1 1 66 66 SER CA C 66 56.645 56.645 56.651 -0.006 25819 2013 1 5 . 1 1 66 66 SER CB C 66 63.823 63.823 64.320 -0.497 25819 2014 1 5 . 1 1 66 66 SER H H 66 8.938 8.938 8.763 0.175 25819 2015 1 5 . 1 1 67 67 THR N N 67 113.595 113.595 122.983 -9.388 25819 2016 1 5 . 1 1 67 67 THR HA H 67 4.649 4.649 4.550 0.099 25819 2017 1 5 . 1 1 67 67 THR CA C 67 59.216 59.216 61.039 -1.823 25819 2018 1 5 . 1 1 67 67 THR CB C 67 69.006 69.006 69.817 -0.811 25819 2019 1 5 . 1 1 67 67 THR H H 67 8.258 8.258 8.660 -0.402 25819 2020 1 5 . 1 1 68 68 LEU N N 68 124.152 124.152 128.265 -4.113 25819 2021 1 5 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.731 -0.375 25819 2022 1 5 . 1 1 68 68 LEU CA C 68 55.112 55.112 53.095 2.017 25819 2023 1 5 . 1 1 68 68 LEU CB C 68 42.915 42.915 40.551 2.364 25819 2024 1 5 . 1 1 68 68 LEU H H 68 8.616 8.616 8.071 0.545 25819 2025 1 5 . 1 1 69 69 ASN N N 69 115.821 115.821 119.046 -3.225 25819 2026 1 5 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.812 -0.168 25819 2027 1 5 . 1 1 69 69 ASN CA C 69 51.456 51.456 53.060 -1.604 25819 2028 1 5 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.260 2.046 25819 2029 1 5 . 1 1 69 69 ASN H H 69 7.965 7.965 7.420 0.545 25819 2030 1 5 . 1 1 70 70 GLN N N 70 114.564 114.564 118.048 -3.484 25819 2031 1 5 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.666 -0.741 25819 2032 1 5 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.334 -0.097 25819 2033 1 5 . 1 1 70 70 GLN CB C 70 29.006 29.006 29.680 -0.674 25819 2034 1 5 . 1 1 70 70 GLN H H 70 8.287 8.287 8.611 -0.324 25819 2035 1 5 . 1 1 71 71 GLY N N 71 108.006 108.006 108.153 -0.147 25819 2036 1 5 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.333 -1.647 25819 2037 1 5 . 1 1 71 71 GLY H H 71 8.520 8.520 8.294 0.226 25819 2038 1 5 . 1 1 72 72 ASN N N 72 117.784 117.784 119.491 -1.707 25819 2039 1 5 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.139 0.334 25819 2040 1 5 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.342 -0.651 25819 2041 1 5 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.472 -1.576 25819 2042 1 5 . 1 1 72 72 ASN H H 72 8.420 8.420 8.138 0.282 25819 2043 1 5 . 1 1 73 73 VAL N N 73 115.849 115.849 115.623 0.226 25819 2044 1 5 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.622 -0.091 25819 2045 1 5 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.851 -0.876 25819 2046 1 5 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.353 -0.174 25819 2047 1 5 . 1 1 73 73 VAL H H 73 8.990 8.990 9.103 -0.113 25819 2048 1 5 . 1 1 74 74 LYS N N 74 123.196 123.196 125.512 -2.316 25819 2049 1 5 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.595 0.561 25819 2050 1 5 . 1 1 74 74 LYS CA C 74 53.881 53.881 55.007 -1.126 25819 2051 1 5 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.032 0.565 25819 2052 1 5 . 1 1 74 74 LYS H H 74 8.716 8.716 8.616 0.100 25819 2053 1 5 . 1 1 75 75 VAL N N 75 129.522 129.522 129.749 -0.227 25819 2054 1 5 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.473 0.069 25819 2055 1 5 . 1 1 75 75 VAL CA C 75 60.816 60.816 62.644 -1.828 25819 2056 1 5 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.736 -0.253 25819 2057 1 5 . 1 1 75 75 VAL H H 75 8.975 8.975 9.147 -0.172 25819 2058 1 5 . 1 1 76 76 THR N N 76 120.548 120.548 124.350 -3.802 25819 2059 1 5 . 1 1 76 76 THR HA H 76 5.066 5.066 4.848 0.218 25819 2060 1 5 . 1 1 76 76 THR CA C 76 59.783 59.783 61.227 -1.444 25819 2061 1 5 . 1 1 76 76 THR CB C 76 70.733 70.733 70.689 0.045 25819 2062 1 5 . 1 1 76 76 THR H H 76 8.650 8.650 8.898 -0.248 25819 2063 1 5 . 1 1 77 77 ALA N N 77 126.454 126.454 129.142 -2.688 25819 2064 1 5 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.169 -0.789 25819 2065 1 5 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.281 -1.851 25819 2066 1 5 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.450 -1.906 25819 2067 1 5 . 1 1 77 77 ALA H H 77 8.674 8.674 8.615 0.059 25819 2068 1 5 . 1 1 78 78 SER N N 78 113.568 113.568 114.488 -0.920 25819 2069 1 5 . 1 1 78 78 SER HA H 78 5.376 5.376 4.693 0.683 25819 2070 1 5 . 1 1 78 78 SER CA C 78 56.077 56.077 58.111 -2.034 25819 2071 1 5 . 1 1 78 78 SER CB C 78 65.730 65.730 66.219 -0.489 25819 2072 1 5 . 1 1 78 78 SER H H 78 8.117 8.117 7.935 0.182 25819 2073 1 5 . 1 1 79 79 ILE N N 79 121.071 121.071 124.428 -3.357 25819 2074 1 5 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.356 -0.215 25819 2075 1 5 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.039 1.085 25819 2076 1 5 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.822 -2.013 25819 2077 1 5 . 1 1 79 79 ILE H H 79 8.446 8.446 7.764 0.682 25819 2078 1 5 . 1 1 80 80 GLY N N 80 117.157 117.157 115.017 2.140 25819 2079 1 5 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.569 -0.563 25819 2080 1 5 . 1 1 80 80 GLY H H 80 8.899 8.899 8.649 0.250 25819 2081 1 5 . 1 1 81 81 GLY N N 81 110.715 110.715 110.834 -0.119 25819 2082 1 5 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.946 -0.568 25819 2083 1 5 . 1 1 81 81 GLY H H 81 8.742 8.742 8.151 0.591 25819 2084 1 5 . 1 1 82 82 ILE N N 82 124.113 124.113 121.611 2.502 25819 2085 1 5 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.221 -0.021 25819 2086 1 5 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.904 -0.870 25819 2087 1 5 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.494 -1.717 25819 2088 1 5 . 1 1 82 82 ILE H H 82 8.188 8.188 7.871 0.317 25819 2089 1 5 . 1 1 83 83 GLN N N 83 122.455 122.455 121.745 0.710 25819 2090 1 5 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.854 0.541 25819 2091 1 5 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.145 -1.125 25819 2092 1 5 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.812 -0.297 25819 2093 1 5 . 1 1 83 83 GLN H H 83 8.423 8.423 8.152 0.271 25819 2094 1 5 . 1 1 84 84 GLY N N 84 111.437 111.437 107.329 4.108 25819 2095 1 5 . 1 1 84 84 GLY H H 84 8.931 8.931 8.030 0.901 25819 2096 1 5 . 1 1 85 85 SER N N 85 113.878 113.878 115.320 -1.442 25819 2097 1 5 . 1 1 85 85 SER HA H 85 5.841 5.841 5.478 0.363 25819 2098 1 5 . 1 1 85 85 SER CA C 85 56.264 56.264 56.939 -0.675 25819 2099 1 5 . 1 1 85 85 SER CB C 85 66.946 66.946 66.763 0.183 25819 2100 1 5 . 1 1 85 85 SER H H 85 8.710 8.710 8.416 0.294 25819 2101 1 5 . 1 1 86 86 THR N N 86 115.389 115.389 114.779 0.610 25819 2102 1 5 . 1 1 86 86 THR HA H 86 4.772 4.772 4.601 0.171 25819 2103 1 5 . 1 1 86 86 THR CA C 86 60.313 60.313 61.381 -1.068 25819 2104 1 5 . 1 1 86 86 THR CB C 86 69.852 69.852 71.486 -1.634 25819 2105 1 5 . 1 1 86 86 THR H H 86 8.854 8.854 8.912 -0.058 25819 2106 1 5 . 1 1 87 87 ASP N N 87 124.623 124.623 122.225 2.398 25819 2107 1 5 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.912 0.524 25819 2108 1 5 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.652 0.144 25819 2109 1 5 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.494 -0.484 25819 2110 1 5 . 1 1 87 87 ASP H H 87 7.953 7.953 8.557 -0.604 25819 2111 1 5 . 1 1 88 88 PHE N N 88 123.574 123.574 125.693 -2.119 25819 2112 1 5 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.508 -0.577 25819 2113 1 5 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.616 0.352 25819 2114 1 5 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.976 -1.092 25819 2115 1 5 . 1 1 88 88 PHE H H 88 9.094 9.094 8.728 0.366 25819 2116 1 5 . 1 1 89 89 LYS N N 89 126.965 126.965 125.683 1.282 25819 2117 1 5 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.922 0.116 25819 2118 1 5 . 1 1 89 89 LYS CA C 89 53.889 53.889 54.956 -1.067 25819 2119 1 5 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.905 -0.236 25819 2120 1 5 . 1 1 89 89 LYS H H 89 7.269 7.269 8.396 -1.127 25819 2121 1 5 . 1 1 90 90 VAL N N 90 126.148 126.148 126.939 -0.791 25819 2122 1 5 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.100 -0.089 25819 2123 1 5 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.129 -1.582 25819 2124 1 5 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.396 -1.448 25819 2125 1 5 . 1 1 90 90 VAL H H 90 9.086 9.086 8.427 0.659 25819 2126 1 5 . 1 1 91 91 THR N N 91 120.505 120.505 123.148 -2.643 25819 2127 1 5 . 1 1 91 91 THR HA H 91 4.568 4.568 4.748 -0.180 25819 2128 1 5 . 1 1 91 91 THR CA C 91 59.348 59.348 60.617 -1.269 25819 2129 1 5 . 1 1 91 91 THR CB C 91 68.970 68.970 71.331 -2.361 25819 2130 1 5 . 1 1 91 91 THR H H 91 8.757 8.757 8.896 -0.139 25819 2131 1 6 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.627 -0.350 25819 2132 1 6 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.596 -1.375 25819 2133 1 6 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.952 -1.536 25819 2134 1 6 . 1 1 3 3 ALA N N 3 123.804 123.804 123.962 -0.158 25819 2135 1 6 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.354 -0.148 25819 2136 1 6 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.496 -0.101 25819 2137 1 6 . 1 1 3 3 ALA CB C 3 18.840 18.840 18.998 -0.158 25819 2138 1 6 . 1 1 3 3 ALA H H 3 8.647 8.647 8.232 0.415 25819 2139 1 6 . 1 1 4 4 ALA N N 4 124.058 124.058 127.222 -3.164 25819 2140 1 6 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.802 -0.093 25819 2141 1 6 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.729 -0.707 25819 2142 1 6 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.222 -0.325 25819 2143 1 6 . 1 1 4 4 ALA H H 4 8.239 8.239 8.559 -0.320 25819 2144 1 6 . 1 1 5 5 LEU N N 5 124.018 124.018 124.871 -0.853 25819 2145 1 6 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.981 -0.609 25819 2146 1 6 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.601 -1.593 25819 2147 1 6 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.594 -1.352 25819 2148 1 6 . 1 1 5 5 LEU H H 5 8.560 8.560 8.928 -0.368 25819 2149 1 6 . 1 1 6 6 VAL N N 6 123.357 123.357 119.365 3.992 25819 2150 1 6 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.290 -0.193 25819 2151 1 6 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.761 -0.421 25819 2152 1 6 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.984 -1.036 25819 2153 1 6 . 1 1 6 6 VAL H H 6 9.119 9.119 8.732 0.387 25819 2154 1 6 . 1 1 7 7 SER N N 7 112.137 112.137 112.971 -0.834 25819 2155 1 6 . 1 1 7 7 SER HA H 7 4.445 4.445 4.720 -0.275 25819 2156 1 6 . 1 1 7 7 SER CA C 7 56.349 56.349 57.068 -0.719 25819 2157 1 6 . 1 1 7 7 SER CB C 7 64.361 64.361 66.263 -1.902 25819 2158 1 6 . 1 1 7 7 SER H H 7 7.680 7.680 7.474 0.206 25819 2159 1 6 . 1 1 8 8 ILE N N 8 118.674 118.674 115.150 3.524 25819 2160 1 6 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.209 -0.536 25819 2161 1 6 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.484 -0.338 25819 2162 1 6 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.316 -0.642 25819 2163 1 6 . 1 1 8 8 ILE H H 8 8.354 8.354 8.118 0.236 25819 2164 1 6 . 1 1 9 9 SER N N 9 121.319 121.319 120.388 0.931 25819 2165 1 6 . 1 1 9 9 SER HA H 9 4.863 4.863 4.915 -0.052 25819 2166 1 6 . 1 1 9 9 SER CA C 9 55.381 55.381 57.335 -1.954 25819 2167 1 6 . 1 1 9 9 SER CB C 9 64.243 64.243 63.577 0.666 25819 2168 1 6 . 1 1 9 9 SER H H 9 9.028 9.028 8.506 0.522 25819 2169 1 6 . 1 1 10 10 VAL N N 10 127.509 127.509 121.770 5.739 25819 2170 1 6 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.990 0.060 25819 2171 1 6 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.943 0.969 25819 2172 1 6 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.070 -0.683 25819 2173 1 6 . 1 1 10 10 VAL H H 10 8.911 8.911 8.545 0.366 25819 2174 1 6 . 1 1 11 11 SER N N 11 121.860 121.860 122.002 -0.142 25819 2175 1 6 . 1 1 11 11 SER CB C 11 64.373 64.373 62.913 1.460 25819 2176 1 6 . 1 1 11 11 SER H H 11 9.206 9.206 8.697 0.509 25819 2177 1 6 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.777 -0.073 25819 2178 1 6 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.959 -2.060 25819 2179 1 6 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.474 1.615 25819 2180 1 6 . 1 1 13 13 THR N N 13 116.137 116.137 117.046 -0.909 25819 2181 1 6 . 1 1 13 13 THR HA H 13 4.770 4.770 4.418 0.352 25819 2182 1 6 . 1 1 13 13 THR CA C 13 60.153 60.153 61.644 -1.491 25819 2183 1 6 . 1 1 13 13 THR CB C 13 69.426 69.426 70.172 -0.746 25819 2184 1 6 . 1 1 13 13 THR H H 13 8.679 8.679 8.269 0.410 25819 2185 1 6 . 1 1 14 14 ASN N N 14 124.457 124.457 126.514 -2.057 25819 2186 1 6 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.322 -0.627 25819 2187 1 6 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.471 0.657 25819 2188 1 6 . 1 1 14 14 ASN CB C 14 36.593 36.593 37.950 -1.357 25819 2189 1 6 . 1 1 14 14 ASN H H 14 8.710 8.710 8.927 -0.217 25819 2190 1 6 . 1 1 15 15 SER N N 15 113.673 113.673 115.333 -1.660 25819 2191 1 6 . 1 1 15 15 SER HA H 15 4.648 4.648 4.880 -0.232 25819 2192 1 6 . 1 1 15 15 SER CA C 15 55.644 55.644 57.316 -1.672 25819 2193 1 6 . 1 1 15 15 SER CB C 15 63.953 63.953 65.563 -1.610 25819 2194 1 6 . 1 1 15 15 SER H H 15 9.127 9.127 7.805 1.322 25819 2195 1 6 . 1 1 16 16 THR N N 16 113.579 113.579 114.015 -0.436 25819 2196 1 6 . 1 1 16 16 THR HA H 16 4.976 4.976 4.684 0.292 25819 2197 1 6 . 1 1 16 16 THR CA C 16 58.445 58.445 59.958 -1.513 25819 2198 1 6 . 1 1 16 16 THR CB C 16 70.534 70.534 69.980 0.554 25819 2199 1 6 . 1 1 16 16 THR H H 16 7.962 7.962 8.131 -0.169 25819 2200 1 6 . 1 1 17 17 VAL N N 17 121.479 121.479 119.892 1.587 25819 2201 1 6 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.632 -0.312 25819 2202 1 6 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.133 0.804 25819 2203 1 6 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.624 -0.220 25819 2204 1 6 . 1 1 17 17 VAL H H 17 7.969 7.969 8.862 -0.893 25819 2205 1 6 . 1 1 18 18 ALA N N 18 126.014 126.014 123.586 2.428 25819 2206 1 6 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.944 -0.769 25819 2207 1 6 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.516 -0.553 25819 2208 1 6 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.735 -0.813 25819 2209 1 6 . 1 1 18 18 ALA H H 18 7.756 7.756 8.277 -0.521 25819 2210 1 6 . 1 1 19 19 LYS N N 19 119.741 119.741 121.775 -2.034 25819 2211 1 6 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.963 -0.476 25819 2212 1 6 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.057 0.715 25819 2213 1 6 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.119 -0.517 25819 2214 1 6 . 1 1 19 19 LYS H H 19 7.892 7.892 8.241 -0.349 25819 2215 1 6 . 1 1 20 20 GLY N N 20 116.709 116.709 112.812 3.897 25819 2216 1 6 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.447 -1.684 25819 2217 1 6 . 1 1 20 20 GLY H H 20 8.615 8.615 8.733 -0.118 25819 2218 1 6 . 1 1 21 21 LEU N N 21 123.004 123.004 124.102 -1.098 25819 2219 1 6 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.683 -0.095 25819 2220 1 6 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.394 -1.029 25819 2221 1 6 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.232 -5.270 25819 2222 1 6 . 1 1 21 21 LEU H H 21 8.013 8.013 8.074 -0.061 25819 2223 1 6 . 1 1 22 22 GLN N N 22 117.503 117.503 117.048 0.455 25819 2224 1 6 . 1 1 22 22 GLN HA H 22 5.128 5.128 4.950 0.178 25819 2225 1 6 . 1 1 22 22 GLN CA C 22 53.669 53.669 55.025 -1.356 25819 2226 1 6 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.740 -0.826 25819 2227 1 6 . 1 1 22 22 GLN H H 22 8.223 8.223 8.331 -0.108 25819 2228 1 6 . 1 1 23 23 GLU N N 23 118.126 118.126 122.586 -4.460 25819 2229 1 6 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.579 -0.016 25819 2230 1 6 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.584 -2.717 25819 2231 1 6 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.016 -0.142 25819 2232 1 6 . 1 1 23 23 GLU H H 23 8.188 8.188 8.791 -0.603 25819 2233 1 6 . 1 1 24 24 ASN N N 24 125.841 125.841 124.372 1.469 25819 2234 1 6 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.008 -0.230 25819 2235 1 6 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.654 -1.143 25819 2236 1 6 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.384 0.362 25819 2237 1 6 . 1 1 24 24 ASN H H 24 9.390 9.390 8.486 0.904 25819 2238 1 6 . 1 1 25 25 PHE N N 25 122.824 122.824 122.194 0.630 25819 2239 1 6 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.563 0.088 25819 2240 1 6 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.972 0.151 25819 2241 1 6 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.023 -3.964 25819 2242 1 6 . 1 1 25 25 PHE H H 25 8.061 8.061 8.884 -0.823 25819 2243 1 6 . 1 1 26 26 LYS N N 26 119.114 119.114 122.388 -3.274 25819 2244 1 6 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.576 0.668 25819 2245 1 6 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.869 -2.893 25819 2246 1 6 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.471 -1.810 25819 2247 1 6 . 1 1 26 26 LYS H H 26 9.255 9.255 8.850 0.405 25819 2248 1 6 . 1 1 27 27 ALA N N 27 125.583 125.583 127.950 -2.367 25819 2249 1 6 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.519 -0.257 25819 2250 1 6 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.783 -1.966 25819 2251 1 6 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.177 -1.017 25819 2252 1 6 . 1 1 27 27 ALA H H 27 9.120 9.120 8.549 0.571 25819 2253 1 6 . 1 1 28 28 THR HA H 28 4.837 4.837 4.837 -0.000 25819 2254 1 6 . 1 1 28 28 THR CA C 28 60.566 60.566 60.895 -0.329 25819 2255 1 6 . 1 1 28 28 THR CB C 28 69.478 69.478 70.576 -1.098 25819 2256 1 6 . 1 1 28 28 THR H H 28 9.062 9.062 8.407 0.655 25819 2257 1 6 . 1 1 29 29 GLY N N 29 115.789 115.789 113.560 2.229 25819 2258 1 6 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.756 0.560 25819 2259 1 6 . 1 1 29 29 GLY H H 29 9.662 9.662 9.035 0.627 25819 2260 1 6 . 1 1 30 30 ILE N N 30 123.084 123.084 122.829 0.255 25819 2261 1 6 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.402 0.376 25819 2262 1 6 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.199 -0.811 25819 2263 1 6 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.690 -4.807 25819 2264 1 6 . 1 1 30 30 ILE H H 30 7.914 7.914 8.660 -0.746 25819 2265 1 6 . 1 1 31 31 PHE N N 31 125.209 125.209 123.137 2.072 25819 2266 1 6 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.049 0.321 25819 2267 1 6 . 1 1 31 31 PHE CA C 31 56.487 56.487 57.135 -0.648 25819 2268 1 6 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.690 -1.537 25819 2269 1 6 . 1 1 31 31 PHE H H 31 8.316 8.316 8.042 0.274 25819 2270 1 6 . 1 1 32 32 THR N N 32 113.842 113.842 116.065 -2.223 25819 2271 1 6 . 1 1 32 32 THR HA H 32 4.404 4.404 4.175 0.229 25819 2272 1 6 . 1 1 32 32 THR CA C 32 64.157 64.157 64.686 -0.529 25819 2273 1 6 . 1 1 32 32 THR CB C 32 68.540 68.540 69.006 -0.466 25819 2274 1 6 . 1 1 32 32 THR H H 32 9.335 9.335 8.905 0.430 25819 2275 1 6 . 1 1 33 33 ASP N N 33 118.799 118.799 118.318 0.481 25819 2276 1 6 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.629 -0.008 25819 2277 1 6 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.568 -1.605 25819 2278 1 6 . 1 1 33 33 ASP CB C 33 38.494 38.494 39.629 -1.135 25819 2279 1 6 . 1 1 33 33 ASP H H 33 7.689 7.689 8.243 -0.554 25819 2280 1 6 . 1 1 34 34 ASN N N 34 112.993 112.993 113.505 -0.512 25819 2281 1 6 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.278 0.070 25819 2282 1 6 . 1 1 34 34 ASN CA C 34 54.346 54.346 55.060 -0.714 25819 2283 1 6 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.334 0.156 25819 2284 1 6 . 1 1 34 34 ASN H H 34 8.370 8.370 8.153 0.217 25819 2285 1 6 . 1 1 35 35 SER N N 35 115.543 115.543 116.309 -0.766 25819 2286 1 6 . 1 1 35 35 SER HA H 35 4.413 4.413 4.634 -0.221 25819 2287 1 6 . 1 1 35 35 SER CA C 35 57.882 57.882 57.755 0.127 25819 2288 1 6 . 1 1 35 35 SER CB C 35 63.770 63.770 63.842 -0.072 25819 2289 1 6 . 1 1 35 35 SER H H 35 7.990 7.990 8.555 -0.565 25819 2290 1 6 . 1 1 36 36 ASN N N 36 116.051 116.051 124.443 -8.392 25819 2291 1 6 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.404 -2.730 25819 2292 1 6 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.135 1.664 25819 2293 1 6 . 1 1 36 36 ASN H H 36 8.518 8.518 8.680 -0.162 25819 2294 1 6 . 1 1 37 37 SER N N 37 113.191 113.191 116.240 -3.049 25819 2295 1 6 . 1 1 37 37 SER HA H 37 4.715 4.715 4.867 -0.152 25819 2296 1 6 . 1 1 37 37 SER CA C 37 56.801 56.801 56.734 0.067 25819 2297 1 6 . 1 1 37 37 SER CB C 37 64.872 64.872 65.935 -1.063 25819 2298 1 6 . 1 1 37 37 SER H H 37 8.667 8.667 8.924 -0.257 25819 2299 1 6 . 1 1 38 38 ASP N N 38 123.961 123.961 120.941 3.020 25819 2300 1 6 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.735 0.252 25819 2301 1 6 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.628 0.573 25819 2302 1 6 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.868 -0.939 25819 2303 1 6 . 1 1 38 38 ASP H H 38 8.848 8.848 8.560 0.288 25819 2304 1 6 . 1 1 39 39 ILE N N 39 121.217 121.217 115.846 5.371 25819 2305 1 6 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.750 1.121 25819 2306 1 6 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.130 -2.423 25819 2307 1 6 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.360 1.726 25819 2308 1 6 . 1 1 39 39 ILE H H 39 8.815 8.815 8.512 0.303 25819 2309 1 6 . 1 1 40 40 THR N N 40 122.868 122.868 116.116 6.752 25819 2310 1 6 . 1 1 40 40 THR HA H 40 4.288 4.288 4.050 0.238 25819 2311 1 6 . 1 1 40 40 THR CB C 40 68.527 68.527 68.962 -0.435 25819 2312 1 6 . 1 1 40 40 THR H H 40 8.679 8.679 8.343 0.336 25819 2313 1 6 . 1 1 41 41 ASP N N 41 114.082 114.082 118.778 -4.696 25819 2314 1 6 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.811 -1.113 25819 2315 1 6 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.904 -0.426 25819 2316 1 6 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.519 -1.801 25819 2317 1 6 . 1 1 41 41 ASP H H 41 8.539 8.539 8.376 0.163 25819 2318 1 6 . 1 1 42 42 GLN N N 42 117.086 117.086 117.470 -0.384 25819 2319 1 6 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.071 0.080 25819 2320 1 6 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.198 -0.662 25819 2321 1 6 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.373 2.843 25819 2322 1 6 . 1 1 42 42 GLN H H 42 7.718 7.718 7.560 0.158 25819 2323 1 6 . 1 1 43 43 VAL N N 43 109.916 109.916 124.494 -14.578 25819 2324 1 6 . 1 1 43 43 VAL HA H 43 4.089 4.089 3.936 0.153 25819 2325 1 6 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.117 -3.277 25819 2326 1 6 . 1 1 43 43 VAL CB C 43 31.273 31.273 31.763 -0.490 25819 2327 1 6 . 1 1 43 43 VAL H H 43 6.902 6.902 8.217 -1.315 25819 2328 1 6 . 1 1 44 44 THR N N 44 116.273 116.273 126.375 -10.102 25819 2329 1 6 . 1 1 44 44 THR HA H 44 4.315 4.315 4.318 -0.003 25819 2330 1 6 . 1 1 44 44 THR CA C 44 61.651 61.651 64.020 -2.369 25819 2331 1 6 . 1 1 44 44 THR CB C 44 68.890 68.890 69.365 -0.475 25819 2332 1 6 . 1 1 44 44 THR H H 44 8.787 8.787 7.709 1.078 25819 2333 1 6 . 1 1 45 45 TRP N N 45 132.098 132.098 126.619 5.479 25819 2334 1 6 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.571 0.674 25819 2335 1 6 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.782 -1.395 25819 2336 1 6 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.832 -0.755 25819 2337 1 6 . 1 1 45 45 TRP H H 45 10.351 10.351 8.415 1.936 25819 2338 1 6 . 1 1 46 46 ASP N N 46 121.897 121.897 121.672 0.225 25819 2339 1 6 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.858 -0.001 25819 2340 1 6 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.498 -0.701 25819 2341 1 6 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.506 0.569 25819 2342 1 6 . 1 1 46 46 ASP H H 46 9.471 9.471 8.205 1.266 25819 2343 1 6 . 1 1 47 47 SER N N 47 113.803 113.803 117.905 -4.102 25819 2344 1 6 . 1 1 47 47 SER HA H 47 5.043 5.043 5.228 -0.185 25819 2345 1 6 . 1 1 47 47 SER CA C 47 53.059 53.059 56.534 -3.475 25819 2346 1 6 . 1 1 47 47 SER CB C 47 64.880 64.880 64.625 0.255 25819 2347 1 6 . 1 1 47 47 SER H H 47 8.502 8.502 8.463 0.039 25819 2348 1 6 . 1 1 48 48 SER N N 48 119.614 119.614 120.673 -1.059 25819 2349 1 6 . 1 1 48 48 SER HA H 48 4.264 4.264 4.320 -0.056 25819 2350 1 6 . 1 1 48 48 SER CA C 48 59.404 59.404 60.884 -1.480 25819 2351 1 6 . 1 1 48 48 SER CB C 48 62.026 62.026 63.440 -1.414 25819 2352 1 6 . 1 1 48 48 SER H H 48 8.517 8.517 8.750 -0.233 25819 2353 1 6 . 1 1 49 49 ASN N N 49 118.259 118.259 118.218 0.041 25819 2354 1 6 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.543 0.355 25819 2355 1 6 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.167 -1.326 25819 2356 1 6 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.859 -1.139 25819 2357 1 6 . 1 1 49 49 ASN H H 49 7.816 7.816 7.734 0.082 25819 2358 1 6 . 1 1 50 50 THR N N 50 119.289 119.289 117.220 2.069 25819 2359 1 6 . 1 1 50 50 THR HA H 50 4.541 4.541 4.433 0.108 25819 2360 1 6 . 1 1 50 50 THR CA C 50 62.137 62.137 62.877 -0.740 25819 2361 1 6 . 1 1 50 50 THR CB C 50 67.100 67.100 69.375 -2.275 25819 2362 1 6 . 1 1 50 50 THR H H 50 9.049 9.049 8.289 0.760 25819 2363 1 6 . 1 1 51 51 ASP N N 51 118.825 118.825 118.909 -0.084 25819 2364 1 6 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.767 -0.181 25819 2365 1 6 . 1 1 51 51 ASP CA C 51 54.690 54.690 55.108 -0.418 25819 2366 1 6 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.506 -2.848 25819 2367 1 6 . 1 1 51 51 ASP H H 51 8.251 8.251 8.339 -0.088 25819 2368 1 6 . 1 1 52 52 ILE N N 52 118.411 118.411 119.874 -1.463 25819 2369 1 6 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.293 -0.368 25819 2370 1 6 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.436 0.245 25819 2371 1 6 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.209 -0.313 25819 2372 1 6 . 1 1 52 52 ILE H H 52 7.169 7.169 7.656 -0.487 25819 2373 1 6 . 1 1 53 53 LEU N N 53 120.128 120.128 125.720 -5.592 25819 2374 1 6 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.998 0.023 25819 2375 1 6 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.170 -0.889 25819 2376 1 6 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.681 1.724 25819 2377 1 6 . 1 1 53 53 LEU H H 53 7.876 7.876 8.151 -0.275 25819 2378 1 6 . 1 1 54 54 SER N N 54 122.251 122.251 116.575 5.676 25819 2379 1 6 . 1 1 54 54 SER HA H 54 4.959 4.959 4.879 0.080 25819 2380 1 6 . 1 1 54 54 SER CA C 54 54.724 54.724 56.984 -2.260 25819 2381 1 6 . 1 1 54 54 SER CB C 54 64.417 64.417 65.433 -1.016 25819 2382 1 6 . 1 1 54 54 SER H H 54 8.650 8.650 8.633 0.017 25819 2383 1 6 . 1 1 55 55 ILE N N 55 123.973 123.973 121.993 1.980 25819 2384 1 6 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.705 0.196 25819 2385 1 6 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.704 -0.836 25819 2386 1 6 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.169 1.250 25819 2387 1 6 . 1 1 55 55 ILE H H 55 9.082 9.082 8.381 0.701 25819 2388 1 6 . 1 1 56 56 SER N N 56 119.539 119.539 123.883 -4.344 25819 2389 1 6 . 1 1 56 56 SER HA H 56 4.387 4.387 4.823 -0.436 25819 2390 1 6 . 1 1 56 56 SER CA C 56 56.626 56.626 57.463 -0.837 25819 2391 1 6 . 1 1 56 56 SER CB C 56 63.106 63.106 64.679 -1.573 25819 2392 1 6 . 1 1 56 56 SER H H 56 7.905 7.905 8.416 -0.511 25819 2393 1 6 . 1 1 57 57 ASN N N 57 124.209 124.209 124.631 -0.422 25819 2394 1 6 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.053 -0.034 25819 2395 1 6 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.536 -1.067 25819 2396 1 6 . 1 1 57 57 ASN CB C 57 40.090 40.090 40.153 -0.063 25819 2397 1 6 . 1 1 57 57 ASN H H 57 8.945 8.945 9.004 -0.059 25819 2398 1 6 . 1 1 58 58 ALA N N 58 124.300 124.300 124.698 -0.398 25819 2399 1 6 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.536 -0.403 25819 2400 1 6 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.379 -1.092 25819 2401 1 6 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.173 -0.819 25819 2402 1 6 . 1 1 58 58 ALA H H 58 8.150 8.150 8.379 -0.229 25819 2403 1 6 . 1 1 59 59 SER N N 59 113.299 113.299 115.328 -2.029 25819 2404 1 6 . 1 1 59 59 SER HA H 59 4.698 4.698 4.211 0.487 25819 2405 1 6 . 1 1 59 59 SER CA C 59 60.003 60.003 60.832 -0.829 25819 2406 1 6 . 1 1 59 59 SER CB C 59 62.574 62.574 63.293 -0.719 25819 2407 1 6 . 1 1 59 59 SER H H 59 8.377 8.377 8.420 -0.043 25819 2408 1 6 . 1 1 60 60 ASP N N 60 116.275 116.275 116.964 -0.689 25819 2409 1 6 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.858 -0.196 25819 2410 1 6 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.729 -1.970 25819 2411 1 6 . 1 1 60 60 ASP CB C 60 39.712 39.712 42.307 -2.595 25819 2412 1 6 . 1 1 60 60 ASP H H 60 8.311 8.311 7.996 0.315 25819 2413 1 6 . 1 1 61 61 SER N N 61 112.649 112.649 113.074 -0.425 25819 2414 1 6 . 1 1 61 61 SER HA H 61 4.630 4.630 4.410 0.220 25819 2415 1 6 . 1 1 61 61 SER CA C 61 56.180 56.180 58.344 -2.164 25819 2416 1 6 . 1 1 61 61 SER CB C 61 61.843 61.843 63.209 -1.365 25819 2417 1 6 . 1 1 61 61 SER H H 61 7.588 7.588 7.937 -0.349 25819 2418 1 6 . 1 1 62 62 HIS N N 62 119.790 119.790 123.238 -3.448 25819 2419 1 6 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.550 -0.503 25819 2420 1 6 . 1 1 62 62 HIS CA C 62 56.919 56.919 57.447 -0.528 25819 2421 1 6 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.478 -2.954 25819 2422 1 6 . 1 1 62 62 HIS H H 62 8.030 8.030 8.312 -0.282 25819 2423 1 6 . 1 1 63 63 GLY N N 63 113.301 113.301 107.835 5.466 25819 2424 1 6 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.551 -0.898 25819 2425 1 6 . 1 1 63 63 GLY H H 63 8.733 8.733 8.487 0.246 25819 2426 1 6 . 1 1 64 64 LEU N N 64 120.664 120.664 124.830 -4.166 25819 2427 1 6 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.805 -0.419 25819 2428 1 6 . 1 1 64 64 LEU CA C 64 54.893 54.893 55.156 -0.262 25819 2429 1 6 . 1 1 64 64 LEU CB C 64 41.463 41.463 44.910 -3.447 25819 2430 1 6 . 1 1 64 64 LEU H H 64 7.679 7.679 8.748 -1.069 25819 2431 1 6 . 1 1 65 65 ALA N N 65 108.347 108.347 126.807 -18.460 25819 2432 1 6 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.703 0.699 25819 2433 1 6 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.394 -1.127 25819 2434 1 6 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.399 1.156 25819 2435 1 6 . 1 1 65 65 ALA H H 65 9.874 9.874 8.877 0.997 25819 2436 1 6 . 1 1 66 66 SER N N 66 115.951 115.951 119.557 -3.606 25819 2437 1 6 . 1 1 66 66 SER HA H 66 4.909 4.909 5.212 -0.303 25819 2438 1 6 . 1 1 66 66 SER CA C 66 56.645 56.645 56.503 0.142 25819 2439 1 6 . 1 1 66 66 SER CB C 66 63.823 63.823 64.858 -1.035 25819 2440 1 6 . 1 1 66 66 SER H H 66 8.938 8.938 8.695 0.243 25819 2441 1 6 . 1 1 67 67 THR N N 67 113.595 113.595 119.402 -5.807 25819 2442 1 6 . 1 1 67 67 THR HA H 67 4.649 4.649 4.742 -0.093 25819 2443 1 6 . 1 1 67 67 THR CA C 67 59.216 59.216 61.505 -2.289 25819 2444 1 6 . 1 1 67 67 THR CB C 67 69.006 69.006 71.443 -2.437 25819 2445 1 6 . 1 1 67 67 THR H H 67 8.258 8.258 8.421 -0.163 25819 2446 1 6 . 1 1 68 68 LEU N N 68 124.152 124.152 126.398 -2.246 25819 2447 1 6 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.762 -0.406 25819 2448 1 6 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.441 0.671 25819 2449 1 6 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.471 1.444 25819 2450 1 6 . 1 1 68 68 LEU H H 68 8.616 8.616 8.363 0.253 25819 2451 1 6 . 1 1 69 69 ASN N N 69 115.821 115.821 117.358 -1.537 25819 2452 1 6 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.929 -0.285 25819 2453 1 6 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.672 -0.216 25819 2454 1 6 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.373 1.933 25819 2455 1 6 . 1 1 69 69 ASN H H 69 7.965 7.965 7.602 0.363 25819 2456 1 6 . 1 1 70 70 GLN N N 70 114.564 114.564 116.488 -1.924 25819 2457 1 6 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.805 -0.880 25819 2458 1 6 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.714 0.523 25819 2459 1 6 . 1 1 70 70 GLN CB C 70 29.006 29.006 29.101 -0.095 25819 2460 1 6 . 1 1 70 70 GLN H H 70 8.287 8.287 8.514 -0.227 25819 2461 1 6 . 1 1 71 71 GLY N N 71 108.006 108.006 109.215 -1.209 25819 2462 1 6 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.377 -1.691 25819 2463 1 6 . 1 1 71 71 GLY H H 71 8.520 8.520 8.166 0.354 25819 2464 1 6 . 1 1 72 72 ASN N N 72 117.784 117.784 118.578 -0.794 25819 2465 1 6 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.839 0.634 25819 2466 1 6 . 1 1 72 72 ASN CA C 72 51.691 51.691 51.935 -0.244 25819 2467 1 6 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.242 -0.346 25819 2468 1 6 . 1 1 72 72 ASN H H 72 8.420 8.420 8.355 0.065 25819 2469 1 6 . 1 1 73 73 VAL N N 73 115.849 115.849 118.710 -2.861 25819 2470 1 6 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.300 0.231 25819 2471 1 6 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.737 -0.762 25819 2472 1 6 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.728 0.451 25819 2473 1 6 . 1 1 73 73 VAL H H 73 8.990 8.990 8.087 0.903 25819 2474 1 6 . 1 1 74 74 LYS N N 74 123.196 123.196 122.569 0.627 25819 2475 1 6 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.723 0.433 25819 2476 1 6 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.713 -0.832 25819 2477 1 6 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.712 -1.115 25819 2478 1 6 . 1 1 74 74 LYS H H 74 8.716 8.716 8.508 0.208 25819 2479 1 6 . 1 1 75 75 VAL N N 75 129.522 129.522 127.497 2.025 25819 2480 1 6 . 1 1 75 75 VAL HA H 75 4.542 4.542 5.187 -0.645 25819 2481 1 6 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.934 -0.118 25819 2482 1 6 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.268 -0.785 25819 2483 1 6 . 1 1 75 75 VAL H H 75 8.975 8.975 9.362 -0.387 25819 2484 1 6 . 1 1 76 76 THR N N 76 120.548 120.548 121.847 -1.299 25819 2485 1 6 . 1 1 76 76 THR HA H 76 5.066 5.066 4.823 0.243 25819 2486 1 6 . 1 1 76 76 THR CA C 76 59.783 59.783 60.712 -0.929 25819 2487 1 6 . 1 1 76 76 THR CB C 76 70.733 70.733 71.091 -0.358 25819 2488 1 6 . 1 1 76 76 THR H H 76 8.650 8.650 9.114 -0.464 25819 2489 1 6 . 1 1 77 77 ALA N N 77 126.454 126.454 126.866 -0.412 25819 2490 1 6 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.198 -0.818 25819 2491 1 6 . 1 1 77 77 ALA CA C 77 48.430 48.430 49.797 -1.367 25819 2492 1 6 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.450 -1.906 25819 2493 1 6 . 1 1 77 77 ALA H H 77 8.674 8.674 8.312 0.362 25819 2494 1 6 . 1 1 78 78 SER N N 78 113.568 113.568 114.220 -0.652 25819 2495 1 6 . 1 1 78 78 SER HA H 78 5.376 5.376 4.726 0.650 25819 2496 1 6 . 1 1 78 78 SER CA C 78 56.077 56.077 58.100 -2.023 25819 2497 1 6 . 1 1 78 78 SER CB C 78 65.730 65.730 66.236 -0.506 25819 2498 1 6 . 1 1 78 78 SER H H 78 8.117 8.117 7.992 0.125 25819 2499 1 6 . 1 1 79 79 ILE N N 79 121.071 121.071 123.680 -2.609 25819 2500 1 6 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.360 -0.219 25819 2501 1 6 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.993 1.131 25819 2502 1 6 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.600 -1.791 25819 2503 1 6 . 1 1 79 79 ILE H H 79 8.446 8.446 7.775 0.671 25819 2504 1 6 . 1 1 80 80 GLY N N 80 117.157 117.157 116.278 0.879 25819 2505 1 6 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.599 -0.593 25819 2506 1 6 . 1 1 80 80 GLY H H 80 8.899 8.899 8.886 0.013 25819 2507 1 6 . 1 1 81 81 GLY N N 81 110.715 110.715 110.061 0.654 25819 2508 1 6 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.794 -0.416 25819 2509 1 6 . 1 1 81 81 GLY H H 81 8.742 8.742 7.969 0.773 25819 2510 1 6 . 1 1 82 82 ILE N N 82 124.113 124.113 121.064 3.049 25819 2511 1 6 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.159 0.041 25819 2512 1 6 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.395 -0.361 25819 2513 1 6 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.093 -1.316 25819 2514 1 6 . 1 1 82 82 ILE H H 82 8.188 8.188 7.940 0.248 25819 2515 1 6 . 1 1 83 83 GLN N N 83 122.455 122.455 122.700 -0.245 25819 2516 1 6 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.936 0.459 25819 2517 1 6 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.267 -1.247 25819 2518 1 6 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.144 0.371 25819 2519 1 6 . 1 1 83 83 GLN H H 83 8.423 8.423 8.174 0.249 25819 2520 1 6 . 1 1 84 84 GLY N N 84 111.437 111.437 107.306 4.131 25819 2521 1 6 . 1 1 84 84 GLY H H 84 8.931 8.931 8.288 0.643 25819 2522 1 6 . 1 1 85 85 SER N N 85 113.878 113.878 114.643 -0.765 25819 2523 1 6 . 1 1 85 85 SER HA H 85 5.841 5.841 5.240 0.601 25819 2524 1 6 . 1 1 85 85 SER CA C 85 56.264 56.264 57.451 -1.187 25819 2525 1 6 . 1 1 85 85 SER CB C 85 66.946 66.946 66.977 -0.031 25819 2526 1 6 . 1 1 85 85 SER H H 85 8.710 8.710 8.280 0.430 25819 2527 1 6 . 1 1 86 86 THR N N 86 115.389 115.389 117.006 -1.617 25819 2528 1 6 . 1 1 86 86 THR HA H 86 4.772 4.772 4.983 -0.211 25819 2529 1 6 . 1 1 86 86 THR CA C 86 60.313 60.313 61.961 -1.648 25819 2530 1 6 . 1 1 86 86 THR CB C 86 69.852 69.852 72.552 -2.700 25819 2531 1 6 . 1 1 86 86 THR H H 86 8.854 8.854 9.144 -0.290 25819 2532 1 6 . 1 1 87 87 ASP N N 87 124.623 124.623 124.898 -0.275 25819 2533 1 6 . 1 1 87 87 ASP HA H 87 5.436 5.436 5.221 0.215 25819 2534 1 6 . 1 1 87 87 ASP CA C 87 53.796 53.796 52.953 0.843 25819 2535 1 6 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.461 -1.451 25819 2536 1 6 . 1 1 87 87 ASP H H 87 7.953 7.953 8.847 -0.894 25819 2537 1 6 . 1 1 88 88 PHE N N 88 123.574 123.574 122.324 1.250 25819 2538 1 6 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.914 -0.983 25819 2539 1 6 . 1 1 88 88 PHE CA C 88 56.968 56.968 54.806 2.162 25819 2540 1 6 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.084 -0.200 25819 2541 1 6 . 1 1 88 88 PHE H H 88 9.094 9.094 8.234 0.860 25819 2542 1 6 . 1 1 89 89 LYS N N 89 126.965 126.965 123.804 3.161 25819 2543 1 6 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.602 0.436 25819 2544 1 6 . 1 1 89 89 LYS CA C 89 53.889 53.889 54.985 -1.096 25819 2545 1 6 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.026 -0.357 25819 2546 1 6 . 1 1 89 89 LYS H H 89 7.269 7.269 8.227 -0.958 25819 2547 1 6 . 1 1 90 90 VAL N N 90 126.148 126.148 130.147 -3.999 25819 2548 1 6 . 1 1 90 90 VAL HA H 90 5.011 5.011 4.820 0.191 25819 2549 1 6 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.838 -2.291 25819 2550 1 6 . 1 1 90 90 VAL CB C 90 30.948 30.948 31.620 -0.673 25819 2551 1 6 . 1 1 90 90 VAL H H 90 9.086 9.086 8.728 0.358 25819 2552 1 6 . 1 1 91 91 THR N N 91 120.505 120.505 121.328 -0.823 25819 2553 1 6 . 1 1 91 91 THR HA H 91 4.568 4.568 4.792 -0.224 25819 2554 1 6 . 1 1 91 91 THR CA C 91 59.348 59.348 59.335 0.013 25819 2555 1 6 . 1 1 91 91 THR CB C 91 68.970 68.970 71.594 -2.624 25819 2556 1 6 . 1 1 91 91 THR H H 91 8.757 8.757 8.715 0.042 25819 2557 1 7 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.482 -0.205 25819 2558 1 7 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.084 -1.863 25819 2559 1 7 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.099 -0.683 25819 2560 1 7 . 1 1 3 3 ALA N N 3 123.804 123.804 122.236 1.568 25819 2561 1 7 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.003 0.203 25819 2562 1 7 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.412 -1.017 25819 2563 1 7 . 1 1 3 3 ALA CB C 3 18.840 18.840 18.875 -0.035 25819 2564 1 7 . 1 1 3 3 ALA H H 3 8.647 8.647 8.176 0.471 25819 2565 1 7 . 1 1 4 4 ALA N N 4 124.058 124.058 121.656 2.402 25819 2566 1 7 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.547 0.162 25819 2567 1 7 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.103 -1.081 25819 2568 1 7 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.379 -1.482 25819 2569 1 7 . 1 1 4 4 ALA H H 4 8.239 8.239 8.176 0.063 25819 2570 1 7 . 1 1 5 5 LEU N N 5 124.018 124.018 123.100 0.918 25819 2571 1 7 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.605 -1.233 25819 2572 1 7 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.874 -1.866 25819 2573 1 7 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.102 -0.860 25819 2574 1 7 . 1 1 5 5 LEU H H 5 8.560 8.560 8.822 -0.262 25819 2575 1 7 . 1 1 6 6 VAL N N 6 123.357 123.357 121.940 1.417 25819 2576 1 7 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.347 -0.250 25819 2577 1 7 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.366 -0.026 25819 2578 1 7 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.783 -0.835 25819 2579 1 7 . 1 1 6 6 VAL H H 6 9.119 9.119 8.709 0.410 25819 2580 1 7 . 1 1 7 7 SER N N 7 112.137 112.137 113.713 -1.576 25819 2581 1 7 . 1 1 7 7 SER HA H 7 4.445 4.445 4.892 -0.447 25819 2582 1 7 . 1 1 7 7 SER CA C 7 56.349 56.349 57.080 -0.731 25819 2583 1 7 . 1 1 7 7 SER CB C 7 64.361 64.361 66.326 -1.965 25819 2584 1 7 . 1 1 7 7 SER H H 7 7.680 7.680 7.867 -0.187 25819 2585 1 7 . 1 1 8 8 ILE N N 8 118.674 118.674 115.662 3.012 25819 2586 1 7 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.095 -0.422 25819 2587 1 7 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.386 -0.240 25819 2588 1 7 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.442 -0.768 25819 2589 1 7 . 1 1 8 8 ILE H H 8 8.354 8.354 8.136 0.218 25819 2590 1 7 . 1 1 9 9 SER N N 9 121.319 121.319 119.451 1.868 25819 2591 1 7 . 1 1 9 9 SER HA H 9 4.863 4.863 4.861 0.002 25819 2592 1 7 . 1 1 9 9 SER CA C 9 55.381 55.381 57.362 -1.981 25819 2593 1 7 . 1 1 9 9 SER CB C 9 64.243 64.243 63.422 0.821 25819 2594 1 7 . 1 1 9 9 SER H H 9 9.028 9.028 8.635 0.393 25819 2595 1 7 . 1 1 10 10 VAL N N 10 127.509 127.509 121.867 5.642 25819 2596 1 7 . 1 1 10 10 VAL HA H 10 5.050 5.050 5.043 0.007 25819 2597 1 7 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.798 1.114 25819 2598 1 7 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.120 -0.733 25819 2599 1 7 . 1 1 10 10 VAL H H 10 8.911 8.911 8.575 0.336 25819 2600 1 7 . 1 1 11 11 SER N N 11 121.860 121.860 122.346 -0.486 25819 2601 1 7 . 1 1 11 11 SER CB C 11 64.373 64.373 63.069 1.304 25819 2602 1 7 . 1 1 11 11 SER H H 11 9.206 9.206 8.652 0.554 25819 2603 1 7 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.771 -0.067 25819 2604 1 7 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.884 -1.985 25819 2605 1 7 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.338 1.751 25819 2606 1 7 . 1 1 13 13 THR N N 13 116.137 116.137 117.773 -1.636 25819 2607 1 7 . 1 1 13 13 THR HA H 13 4.770 4.770 4.600 0.170 25819 2608 1 7 . 1 1 13 13 THR CA C 13 60.153 60.153 61.379 -1.226 25819 2609 1 7 . 1 1 13 13 THR CB C 13 69.426 69.426 70.442 -1.016 25819 2610 1 7 . 1 1 13 13 THR H H 13 8.679 8.679 8.593 0.086 25819 2611 1 7 . 1 1 14 14 ASN N N 14 124.457 124.457 124.788 -0.331 25819 2612 1 7 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.402 -0.707 25819 2613 1 7 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.264 0.864 25819 2614 1 7 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.451 -1.858 25819 2615 1 7 . 1 1 14 14 ASN H H 14 8.710 8.710 8.892 -0.182 25819 2616 1 7 . 1 1 15 15 SER N N 15 113.673 113.673 117.062 -3.389 25819 2617 1 7 . 1 1 15 15 SER HA H 15 4.648 4.648 4.723 -0.075 25819 2618 1 7 . 1 1 15 15 SER CA C 15 55.644 55.644 57.336 -1.692 25819 2619 1 7 . 1 1 15 15 SER CB C 15 63.953 63.953 64.867 -0.914 25819 2620 1 7 . 1 1 15 15 SER H H 15 9.127 9.127 8.133 0.994 25819 2621 1 7 . 1 1 16 16 THR N N 16 113.579 113.579 115.717 -2.138 25819 2622 1 7 . 1 1 16 16 THR HA H 16 4.976 4.976 4.956 0.020 25819 2623 1 7 . 1 1 16 16 THR CA C 16 58.445 58.445 60.620 -2.175 25819 2624 1 7 . 1 1 16 16 THR CB C 16 70.534 70.534 70.315 0.219 25819 2625 1 7 . 1 1 16 16 THR H H 16 7.962 7.962 8.307 -0.345 25819 2626 1 7 . 1 1 17 17 VAL N N 17 121.479 121.479 120.338 1.141 25819 2627 1 7 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.557 -0.237 25819 2628 1 7 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.474 0.463 25819 2629 1 7 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.735 -0.331 25819 2630 1 7 . 1 1 17 17 VAL H H 17 7.969 7.969 8.928 -0.959 25819 2631 1 7 . 1 1 18 18 ALA N N 18 126.014 126.014 124.895 1.119 25819 2632 1 7 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.221 -0.046 25819 2633 1 7 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.670 -0.707 25819 2634 1 7 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.503 -0.581 25819 2635 1 7 . 1 1 18 18 ALA H H 18 7.756 7.756 8.298 -0.542 25819 2636 1 7 . 1 1 19 19 LYS N N 19 119.741 119.741 122.449 -2.708 25819 2637 1 7 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.918 -0.431 25819 2638 1 7 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.289 0.483 25819 2639 1 7 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.308 -0.706 25819 2640 1 7 . 1 1 19 19 LYS H H 19 7.892 7.892 8.031 -0.139 25819 2641 1 7 . 1 1 20 20 GLY N N 20 116.709 116.709 114.333 2.376 25819 2642 1 7 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.030 -1.267 25819 2643 1 7 . 1 1 20 20 GLY H H 20 8.615 8.615 8.545 0.070 25819 2644 1 7 . 1 1 21 21 LEU N N 21 123.004 123.004 123.087 -0.083 25819 2645 1 7 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.581 0.007 25819 2646 1 7 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.895 -1.530 25819 2647 1 7 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.536 -4.574 25819 2648 1 7 . 1 1 21 21 LEU H H 21 8.013 8.013 7.964 0.049 25819 2649 1 7 . 1 1 22 22 GLN N N 22 117.503 117.503 120.242 -2.739 25819 2650 1 7 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.284 -0.156 25819 2651 1 7 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.823 -0.154 25819 2652 1 7 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.740 -0.826 25819 2653 1 7 . 1 1 22 22 GLN H H 22 8.223 8.223 8.200 0.023 25819 2654 1 7 . 1 1 23 23 GLU N N 23 118.126 118.126 121.535 -3.409 25819 2655 1 7 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.371 0.192 25819 2656 1 7 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.210 -2.343 25819 2657 1 7 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.614 0.260 25819 2658 1 7 . 1 1 23 23 GLU H H 23 8.188 8.188 8.440 -0.252 25819 2659 1 7 . 1 1 24 24 ASN N N 24 125.841 125.841 124.391 1.450 25819 2660 1 7 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.569 0.209 25819 2661 1 7 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.643 -1.132 25819 2662 1 7 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.127 0.619 25819 2663 1 7 . 1 1 24 24 ASN H H 24 9.390 9.390 8.503 0.887 25819 2664 1 7 . 1 1 25 25 PHE N N 25 122.824 122.824 123.664 -0.840 25819 2665 1 7 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.531 0.120 25819 2666 1 7 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.939 0.184 25819 2667 1 7 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.815 -2.756 25819 2668 1 7 . 1 1 25 25 PHE H H 25 8.061 8.061 9.033 -0.972 25819 2669 1 7 . 1 1 26 26 LYS N N 26 119.114 119.114 122.099 -2.985 25819 2670 1 7 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.390 0.854 25819 2671 1 7 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.110 -2.134 25819 2672 1 7 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.136 -0.475 25819 2673 1 7 . 1 1 26 26 LYS H H 26 9.255 9.255 8.663 0.592 25819 2674 1 7 . 1 1 27 27 ALA N N 27 125.583 125.583 129.379 -3.796 25819 2675 1 7 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.537 -0.275 25819 2676 1 7 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.123 -2.307 25819 2677 1 7 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.954 -0.794 25819 2678 1 7 . 1 1 27 27 ALA H H 27 9.120 9.120 8.461 0.659 25819 2679 1 7 . 1 1 28 28 THR HA H 28 4.837 4.837 4.622 0.215 25819 2680 1 7 . 1 1 28 28 THR CA C 28 60.566 60.566 61.701 -1.135 25819 2681 1 7 . 1 1 28 28 THR CB C 28 69.478 69.478 70.959 -1.481 25819 2682 1 7 . 1 1 28 28 THR H H 28 9.062 9.062 8.370 0.692 25819 2683 1 7 . 1 1 29 29 GLY N N 29 115.789 115.789 113.755 2.034 25819 2684 1 7 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.747 0.569 25819 2685 1 7 . 1 1 29 29 GLY H H 29 9.662 9.662 8.987 0.675 25819 2686 1 7 . 1 1 30 30 ILE N N 30 123.084 123.084 122.834 0.250 25819 2687 1 7 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.157 0.621 25819 2688 1 7 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.085 -0.697 25819 2689 1 7 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.701 -4.818 25819 2690 1 7 . 1 1 30 30 ILE H H 30 7.914 7.914 8.488 -0.574 25819 2691 1 7 . 1 1 31 31 PHE N N 31 125.209 125.209 123.717 1.492 25819 2692 1 7 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.234 0.136 25819 2693 1 7 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.330 1.157 25819 2694 1 7 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.656 -0.503 25819 2695 1 7 . 1 1 31 31 PHE H H 31 8.316 8.316 7.938 0.378 25819 2696 1 7 . 1 1 32 32 THR N N 32 113.842 113.842 116.713 -2.871 25819 2697 1 7 . 1 1 32 32 THR HA H 32 4.404 4.404 4.266 0.138 25819 2698 1 7 . 1 1 32 32 THR CA C 32 64.157 64.157 65.113 -0.956 25819 2699 1 7 . 1 1 32 32 THR CB C 32 68.540 68.540 68.691 -0.151 25819 2700 1 7 . 1 1 32 32 THR H H 32 9.335 9.335 8.800 0.535 25819 2701 1 7 . 1 1 33 33 ASP N N 33 118.799 118.799 120.009 -1.210 25819 2702 1 7 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.726 -0.105 25819 2703 1 7 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.255 -1.292 25819 2704 1 7 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.459 -1.965 25819 2705 1 7 . 1 1 33 33 ASP H H 33 7.689 7.689 8.188 -0.499 25819 2706 1 7 . 1 1 34 34 ASN N N 34 112.993 112.993 113.937 -0.944 25819 2707 1 7 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.345 0.003 25819 2708 1 7 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.741 -0.395 25819 2709 1 7 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.569 -0.079 25819 2710 1 7 . 1 1 34 34 ASN H H 34 8.370 8.370 7.988 0.382 25819 2711 1 7 . 1 1 35 35 SER N N 35 115.543 115.543 115.437 0.106 25819 2712 1 7 . 1 1 35 35 SER HA H 35 4.413 4.413 4.682 -0.269 25819 2713 1 7 . 1 1 35 35 SER CA C 35 57.882 57.882 57.487 0.395 25819 2714 1 7 . 1 1 35 35 SER CB C 35 63.770 63.770 64.724 -0.954 25819 2715 1 7 . 1 1 35 35 SER H H 35 7.990 7.990 7.993 -0.003 25819 2716 1 7 . 1 1 36 36 ASN N N 36 116.051 116.051 125.646 -9.595 25819 2717 1 7 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.128 -2.454 25819 2718 1 7 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.017 1.782 25819 2719 1 7 . 1 1 36 36 ASN H H 36 8.518 8.518 8.661 -0.143 25819 2720 1 7 . 1 1 37 37 SER N N 37 113.191 113.191 117.145 -3.954 25819 2721 1 7 . 1 1 37 37 SER HA H 37 4.715 4.715 4.720 -0.005 25819 2722 1 7 . 1 1 37 37 SER CA C 37 56.801 56.801 56.879 -0.078 25819 2723 1 7 . 1 1 37 37 SER CB C 37 64.872 64.872 66.455 -1.583 25819 2724 1 7 . 1 1 37 37 SER H H 37 8.667 8.667 8.841 -0.174 25819 2725 1 7 . 1 1 38 38 ASP N N 38 123.961 123.961 122.036 1.925 25819 2726 1 7 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.711 0.276 25819 2727 1 7 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.041 1.160 25819 2728 1 7 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.261 -1.332 25819 2729 1 7 . 1 1 38 38 ASP H H 38 8.848 8.848 8.504 0.344 25819 2730 1 7 . 1 1 39 39 ILE N N 39 121.217 121.217 116.009 5.208 25819 2731 1 7 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.758 1.113 25819 2732 1 7 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.763 -2.056 25819 2733 1 7 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.178 1.908 25819 2734 1 7 . 1 1 39 39 ILE H H 39 8.815 8.815 8.281 0.534 25819 2735 1 7 . 1 1 40 40 THR N N 40 122.868 122.868 114.717 8.151 25819 2736 1 7 . 1 1 40 40 THR HA H 40 4.288 4.288 4.132 0.156 25819 2737 1 7 . 1 1 40 40 THR CB C 40 68.527 68.527 69.195 -0.668 25819 2738 1 7 . 1 1 40 40 THR H H 40 8.679 8.679 8.204 0.475 25819 2739 1 7 . 1 1 41 41 ASP N N 41 114.082 114.082 118.809 -4.727 25819 2740 1 7 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.743 -1.045 25819 2741 1 7 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.256 -0.778 25819 2742 1 7 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.730 -2.012 25819 2743 1 7 . 1 1 41 41 ASP H H 41 8.539 8.539 8.530 0.009 25819 2744 1 7 . 1 1 42 42 GLN N N 42 117.086 117.086 117.666 -0.580 25819 2745 1 7 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.057 0.094 25819 2746 1 7 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.873 -0.338 25819 2747 1 7 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.945 3.271 25819 2748 1 7 . 1 1 42 42 GLN H H 42 7.718 7.718 7.276 0.442 25819 2749 1 7 . 1 1 43 43 VAL N N 43 109.916 109.916 121.372 -11.456 25819 2750 1 7 . 1 1 43 43 VAL HA H 43 4.089 4.089 3.861 0.228 25819 2751 1 7 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.001 -4.161 25819 2752 1 7 . 1 1 43 43 VAL CB C 43 31.273 31.273 31.537 -0.264 25819 2753 1 7 . 1 1 43 43 VAL H H 43 6.902 6.902 8.056 -1.154 25819 2754 1 7 . 1 1 44 44 THR N N 44 116.273 116.273 125.426 -9.153 25819 2755 1 7 . 1 1 44 44 THR HA H 44 4.315 4.315 4.548 -0.233 25819 2756 1 7 . 1 1 44 44 THR CA C 44 61.651 61.651 63.071 -1.420 25819 2757 1 7 . 1 1 44 44 THR CB C 44 68.890 68.890 69.388 -0.498 25819 2758 1 7 . 1 1 44 44 THR H H 44 8.787 8.787 7.693 1.094 25819 2759 1 7 . 1 1 45 45 TRP N N 45 132.098 132.098 128.094 4.004 25819 2760 1 7 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.633 0.612 25819 2761 1 7 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.571 -1.184 25819 2762 1 7 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.264 -1.187 25819 2763 1 7 . 1 1 45 45 TRP H H 45 10.351 10.351 8.627 1.724 25819 2764 1 7 . 1 1 46 46 ASP N N 46 121.897 121.897 120.655 1.242 25819 2765 1 7 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.990 -0.133 25819 2766 1 7 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.465 -0.668 25819 2767 1 7 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.730 -0.654 25819 2768 1 7 . 1 1 46 46 ASP H H 46 9.471 9.471 8.420 1.051 25819 2769 1 7 . 1 1 47 47 SER N N 47 113.803 113.803 116.220 -2.417 25819 2770 1 7 . 1 1 47 47 SER HA H 47 5.043 5.043 5.307 -0.264 25819 2771 1 7 . 1 1 47 47 SER CA C 47 53.059 53.059 56.762 -3.703 25819 2772 1 7 . 1 1 47 47 SER CB C 47 64.880 64.880 65.591 -0.711 25819 2773 1 7 . 1 1 47 47 SER H H 47 8.502 8.502 8.512 -0.010 25819 2774 1 7 . 1 1 48 48 SER N N 48 119.614 119.614 120.747 -1.133 25819 2775 1 7 . 1 1 48 48 SER HA H 48 4.264 4.264 4.367 -0.103 25819 2776 1 7 . 1 1 48 48 SER CA C 48 59.404 59.404 60.212 -0.808 25819 2777 1 7 . 1 1 48 48 SER CB C 48 62.026 62.026 64.022 -1.996 25819 2778 1 7 . 1 1 48 48 SER H H 48 8.517 8.517 8.840 -0.323 25819 2779 1 7 . 1 1 49 49 ASN N N 49 118.259 118.259 113.173 5.086 25819 2780 1 7 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.740 0.158 25819 2781 1 7 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.549 -0.708 25819 2782 1 7 . 1 1 49 49 ASN CB C 49 37.720 37.720 39.097 -1.377 25819 2783 1 7 . 1 1 49 49 ASN H H 49 7.816 7.816 8.258 -0.442 25819 2784 1 7 . 1 1 50 50 THR N N 50 119.289 119.289 114.812 4.477 25819 2785 1 7 . 1 1 50 50 THR HA H 50 4.541 4.541 4.569 -0.028 25819 2786 1 7 . 1 1 50 50 THR CA C 50 62.137 62.137 62.729 -0.592 25819 2787 1 7 . 1 1 50 50 THR CB C 50 67.100 67.100 69.918 -2.818 25819 2788 1 7 . 1 1 50 50 THR H H 50 9.049 9.049 8.438 0.611 25819 2789 1 7 . 1 1 51 51 ASP N N 51 118.825 118.825 120.623 -1.798 25819 2790 1 7 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.805 -0.219 25819 2791 1 7 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.558 0.132 25819 2792 1 7 . 1 1 51 51 ASP CB C 51 39.658 39.658 43.385 -3.727 25819 2793 1 7 . 1 1 51 51 ASP H H 51 8.251 8.251 8.097 0.154 25819 2794 1 7 . 1 1 52 52 ILE N N 52 118.411 118.411 120.970 -2.559 25819 2795 1 7 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.380 -0.455 25819 2796 1 7 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.657 1.024 25819 2797 1 7 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.305 0.591 25819 2798 1 7 . 1 1 52 52 ILE H H 52 7.169 7.169 7.963 -0.794 25819 2799 1 7 . 1 1 53 53 LEU N N 53 120.128 120.128 123.009 -2.881 25819 2800 1 7 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.097 -0.076 25819 2801 1 7 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.652 -0.371 25819 2802 1 7 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.297 2.108 25819 2803 1 7 . 1 1 53 53 LEU H H 53 7.876 7.876 7.906 -0.030 25819 2804 1 7 . 1 1 54 54 SER N N 54 122.251 122.251 118.496 3.755 25819 2805 1 7 . 1 1 54 54 SER HA H 54 4.959 4.959 4.804 0.155 25819 2806 1 7 . 1 1 54 54 SER CA C 54 54.724 54.724 57.847 -3.123 25819 2807 1 7 . 1 1 54 54 SER CB C 54 64.417 64.417 66.411 -1.994 25819 2808 1 7 . 1 1 54 54 SER H H 54 8.650 8.650 8.771 -0.121 25819 2809 1 7 . 1 1 55 55 ILE N N 55 123.973 123.973 123.847 0.126 25819 2810 1 7 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.450 0.451 25819 2811 1 7 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.508 -1.640 25819 2812 1 7 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.918 0.500 25819 2813 1 7 . 1 1 55 55 ILE H H 55 9.082 9.082 8.558 0.524 25819 2814 1 7 . 1 1 56 56 SER N N 56 119.539 119.539 123.857 -4.318 25819 2815 1 7 . 1 1 56 56 SER HA H 56 4.387 4.387 4.848 -0.462 25819 2816 1 7 . 1 1 56 56 SER CA C 56 56.626 56.626 57.506 -0.880 25819 2817 1 7 . 1 1 56 56 SER CB C 56 63.106 63.106 64.568 -1.462 25819 2818 1 7 . 1 1 56 56 SER H H 56 7.905 7.905 8.735 -0.830 25819 2819 1 7 . 1 1 57 57 ASN N N 57 124.209 124.209 126.678 -2.469 25819 2820 1 7 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.028 -0.009 25819 2821 1 7 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.004 -0.535 25819 2822 1 7 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.498 0.591 25819 2823 1 7 . 1 1 57 57 ASN H H 57 8.945 8.945 9.026 -0.081 25819 2824 1 7 . 1 1 58 58 ALA N N 58 124.300 124.300 122.843 1.457 25819 2825 1 7 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.488 -0.355 25819 2826 1 7 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.314 -1.027 25819 2827 1 7 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.965 -0.611 25819 2828 1 7 . 1 1 58 58 ALA H H 58 8.150 8.150 8.161 -0.011 25819 2829 1 7 . 1 1 59 59 SER N N 59 113.299 113.299 115.466 -2.167 25819 2830 1 7 . 1 1 59 59 SER HA H 59 4.698 4.698 4.278 0.420 25819 2831 1 7 . 1 1 59 59 SER CA C 59 60.003 60.003 59.861 0.142 25819 2832 1 7 . 1 1 59 59 SER CB C 59 62.574 62.574 63.681 -1.107 25819 2833 1 7 . 1 1 59 59 SER H H 59 8.377 8.377 8.571 -0.194 25819 2834 1 7 . 1 1 60 60 ASP N N 60 116.275 116.275 115.688 0.587 25819 2835 1 7 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.654 0.008 25819 2836 1 7 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.705 -1.946 25819 2837 1 7 . 1 1 60 60 ASP CB C 60 39.712 39.712 40.987 -1.275 25819 2838 1 7 . 1 1 60 60 ASP H H 60 8.311 8.311 8.471 -0.160 25819 2839 1 7 . 1 1 61 61 SER N N 61 112.649 112.649 113.890 -1.241 25819 2840 1 7 . 1 1 61 61 SER HA H 61 4.630 4.630 4.465 0.165 25819 2841 1 7 . 1 1 61 61 SER CA C 61 56.180 56.180 59.254 -3.074 25819 2842 1 7 . 1 1 61 61 SER CB C 61 61.843 61.843 63.511 -1.668 25819 2843 1 7 . 1 1 61 61 SER H H 61 7.588 7.588 7.904 -0.316 25819 2844 1 7 . 1 1 62 62 HIS N N 62 119.790 119.790 124.136 -4.346 25819 2845 1 7 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.804 -0.757 25819 2846 1 7 . 1 1 62 62 HIS CA C 62 56.919 56.919 57.232 -0.313 25819 2847 1 7 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.929 -3.405 25819 2848 1 7 . 1 1 62 62 HIS H H 62 8.030 8.030 7.818 0.212 25819 2849 1 7 . 1 1 63 63 GLY N N 63 113.301 113.301 108.436 4.865 25819 2850 1 7 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.480 -0.827 25819 2851 1 7 . 1 1 63 63 GLY H H 63 8.733 8.733 8.492 0.241 25819 2852 1 7 . 1 1 64 64 LEU N N 64 120.664 120.664 125.783 -5.119 25819 2853 1 7 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.705 -0.319 25819 2854 1 7 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.642 1.251 25819 2855 1 7 . 1 1 64 64 LEU CB C 64 41.463 41.463 46.136 -4.673 25819 2856 1 7 . 1 1 64 64 LEU H H 64 7.679 7.679 8.972 -1.293 25819 2857 1 7 . 1 1 65 65 ALA N N 65 108.347 108.347 123.784 -15.437 25819 2858 1 7 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.673 0.729 25819 2859 1 7 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.391 -1.124 25819 2860 1 7 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.589 0.966 25819 2861 1 7 . 1 1 65 65 ALA H H 65 9.874 9.874 8.448 1.426 25819 2862 1 7 . 1 1 66 66 SER N N 66 115.951 115.951 120.230 -4.279 25819 2863 1 7 . 1 1 66 66 SER HA H 66 4.909 4.909 4.875 0.034 25819 2864 1 7 . 1 1 66 66 SER CA C 66 56.645 56.645 56.758 -0.113 25819 2865 1 7 . 1 1 66 66 SER CB C 66 63.823 63.823 64.434 -0.611 25819 2866 1 7 . 1 1 66 66 SER H H 66 8.938 8.938 8.791 0.147 25819 2867 1 7 . 1 1 67 67 THR N N 67 113.595 113.595 120.126 -6.531 25819 2868 1 7 . 1 1 67 67 THR HA H 67 4.649 4.649 4.862 -0.213 25819 2869 1 7 . 1 1 67 67 THR CA C 67 59.216 59.216 60.936 -1.720 25819 2870 1 7 . 1 1 67 67 THR CB C 67 69.006 69.006 70.465 -1.459 25819 2871 1 7 . 1 1 67 67 THR H H 67 8.258 8.258 8.915 -0.657 25819 2872 1 7 . 1 1 68 68 LEU N N 68 124.152 124.152 122.928 1.224 25819 2873 1 7 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.697 -0.341 25819 2874 1 7 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.739 0.373 25819 2875 1 7 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.676 0.239 25819 2876 1 7 . 1 1 68 68 LEU H H 68 8.616 8.616 8.366 0.250 25819 2877 1 7 . 1 1 69 69 ASN N N 69 115.821 115.821 117.413 -1.592 25819 2878 1 7 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.833 -0.189 25819 2879 1 7 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.461 -1.005 25819 2880 1 7 . 1 1 69 69 ASN CB C 69 42.306 42.306 39.561 2.745 25819 2881 1 7 . 1 1 69 69 ASN H H 69 7.965 7.965 7.839 0.126 25819 2882 1 7 . 1 1 70 70 GLN N N 70 114.564 114.564 117.693 -3.129 25819 2883 1 7 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.532 -0.607 25819 2884 1 7 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.218 0.019 25819 2885 1 7 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.878 0.129 25819 2886 1 7 . 1 1 70 70 GLN H H 70 8.287 8.287 8.653 -0.366 25819 2887 1 7 . 1 1 71 71 GLY N N 71 108.006 108.006 108.883 -0.877 25819 2888 1 7 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.602 -1.917 25819 2889 1 7 . 1 1 71 71 GLY H H 71 8.520 8.520 8.139 0.381 25819 2890 1 7 . 1 1 72 72 ASN N N 72 117.784 117.784 119.539 -1.755 25819 2891 1 7 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.863 0.610 25819 2892 1 7 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.070 -0.379 25819 2893 1 7 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.062 -1.166 25819 2894 1 7 . 1 1 72 72 ASN H H 72 8.420 8.420 8.283 0.137 25819 2895 1 7 . 1 1 73 73 VAL N N 73 115.849 115.849 117.070 -1.221 25819 2896 1 7 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.314 0.217 25819 2897 1 7 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.609 -0.634 25819 2898 1 7 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.969 0.210 25819 2899 1 7 . 1 1 73 73 VAL H H 73 8.990 8.990 8.185 0.805 25819 2900 1 7 . 1 1 74 74 LYS N N 74 123.196 123.196 122.250 0.946 25819 2901 1 7 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.769 0.387 25819 2902 1 7 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.667 -0.786 25819 2903 1 7 . 1 1 74 74 LYS CB C 74 33.597 33.597 35.144 -1.547 25819 2904 1 7 . 1 1 74 74 LYS H H 74 8.716 8.716 8.548 0.168 25819 2905 1 7 . 1 1 75 75 VAL N N 75 129.522 129.522 127.038 2.484 25819 2906 1 7 . 1 1 75 75 VAL HA H 75 4.542 4.542 5.150 -0.608 25819 2907 1 7 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.440 -0.624 25819 2908 1 7 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.409 -0.926 25819 2909 1 7 . 1 1 75 75 VAL H H 75 8.975 8.975 9.366 -0.391 25819 2910 1 7 . 1 1 76 76 THR N N 76 120.548 120.548 121.893 -1.345 25819 2911 1 7 . 1 1 76 76 THR HA H 76 5.066 5.066 4.782 0.284 25819 2912 1 7 . 1 1 76 76 THR CA C 76 59.783 59.783 61.190 -1.407 25819 2913 1 7 . 1 1 76 76 THR CB C 76 70.733 70.733 70.269 0.464 25819 2914 1 7 . 1 1 76 76 THR H H 76 8.650 8.650 9.062 -0.412 25819 2915 1 7 . 1 1 77 77 ALA N N 77 126.454 126.454 128.993 -2.539 25819 2916 1 7 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.154 -0.774 25819 2917 1 7 . 1 1 77 77 ALA CA C 77 48.430 48.430 49.648 -1.218 25819 2918 1 7 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.171 -1.627 25819 2919 1 7 . 1 1 77 77 ALA H H 77 8.674 8.674 8.167 0.507 25819 2920 1 7 . 1 1 78 78 SER N N 78 113.568 113.568 114.182 -0.614 25819 2921 1 7 . 1 1 78 78 SER HA H 78 5.376 5.376 4.630 0.746 25819 2922 1 7 . 1 1 78 78 SER CA C 78 56.077 56.077 57.867 -1.790 25819 2923 1 7 . 1 1 78 78 SER CB C 78 65.730 65.730 65.899 -0.169 25819 2924 1 7 . 1 1 78 78 SER H H 78 8.117 8.117 7.914 0.203 25819 2925 1 7 . 1 1 79 79 ILE N N 79 121.071 121.071 124.439 -3.368 25819 2926 1 7 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.394 -0.253 25819 2927 1 7 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.260 0.864 25819 2928 1 7 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.187 -1.378 25819 2929 1 7 . 1 1 79 79 ILE H H 79 8.446 8.446 7.648 0.798 25819 2930 1 7 . 1 1 80 80 GLY N N 80 117.157 117.157 117.113 0.044 25819 2931 1 7 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.520 -0.514 25819 2932 1 7 . 1 1 80 80 GLY H H 80 8.899 8.899 8.877 0.022 25819 2933 1 7 . 1 1 81 81 GLY N N 81 110.715 110.715 110.161 0.554 25819 2934 1 7 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.834 -0.456 25819 2935 1 7 . 1 1 81 81 GLY H H 81 8.742 8.742 8.069 0.673 25819 2936 1 7 . 1 1 82 82 ILE N N 82 124.113 124.113 122.621 1.492 25819 2937 1 7 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.113 0.087 25819 2938 1 7 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.193 -1.160 25819 2939 1 7 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.275 -1.498 25819 2940 1 7 . 1 1 82 82 ILE H H 82 8.188 8.188 8.041 0.147 25819 2941 1 7 . 1 1 83 83 GLN N N 83 122.455 122.455 123.196 -0.741 25819 2942 1 7 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.921 0.474 25819 2943 1 7 . 1 1 83 83 GLN CA C 83 53.020 53.020 53.853 -0.833 25819 2944 1 7 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.204 0.311 25819 2945 1 7 . 1 1 83 83 GLN H H 83 8.423 8.423 8.226 0.197 25819 2946 1 7 . 1 1 84 84 GLY N N 84 111.437 111.437 107.782 3.655 25819 2947 1 7 . 1 1 84 84 GLY H H 84 8.931 8.931 8.484 0.447 25819 2948 1 7 . 1 1 85 85 SER N N 85 113.878 113.878 115.328 -1.450 25819 2949 1 7 . 1 1 85 85 SER HA H 85 5.841 5.841 5.143 0.698 25819 2950 1 7 . 1 1 85 85 SER CA C 85 56.264 56.264 57.005 -0.741 25819 2951 1 7 . 1 1 85 85 SER CB C 85 66.946 66.946 65.564 1.382 25819 2952 1 7 . 1 1 85 85 SER H H 85 8.710 8.710 8.273 0.437 25819 2953 1 7 . 1 1 86 86 THR N N 86 115.389 115.389 117.504 -2.115 25819 2954 1 7 . 1 1 86 86 THR HA H 86 4.772 4.772 4.722 0.050 25819 2955 1 7 . 1 1 86 86 THR CA C 86 60.313 60.313 61.871 -1.558 25819 2956 1 7 . 1 1 86 86 THR CB C 86 69.852 69.852 71.767 -1.915 25819 2957 1 7 . 1 1 86 86 THR H H 86 8.854 8.854 8.491 0.363 25819 2958 1 7 . 1 1 87 87 ASP N N 87 124.623 124.623 123.675 0.948 25819 2959 1 7 . 1 1 87 87 ASP HA H 87 5.436 5.436 5.252 0.184 25819 2960 1 7 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.042 0.754 25819 2961 1 7 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.457 -1.447 25819 2962 1 7 . 1 1 87 87 ASP H H 87 7.953 7.953 8.656 -0.703 25819 2963 1 7 . 1 1 88 88 PHE N N 88 123.574 123.574 122.365 1.209 25819 2964 1 7 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.856 -0.925 25819 2965 1 7 . 1 1 88 88 PHE CA C 88 56.968 56.968 54.663 2.305 25819 2966 1 7 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.483 0.401 25819 2967 1 7 . 1 1 88 88 PHE H H 88 9.094 9.094 8.255 0.839 25819 2968 1 7 . 1 1 89 89 LYS N N 89 126.965 126.965 125.005 1.960 25819 2969 1 7 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.697 0.341 25819 2970 1 7 . 1 1 89 89 LYS CA C 89 53.889 53.889 54.948 -1.059 25819 2971 1 7 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.730 -0.061 25819 2972 1 7 . 1 1 89 89 LYS H H 89 7.269 7.269 8.335 -1.066 25819 2973 1 7 . 1 1 90 90 VAL N N 90 126.148 126.148 129.987 -3.839 25819 2974 1 7 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.145 -0.134 25819 2975 1 7 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.632 -2.085 25819 2976 1 7 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.161 -1.213 25819 2977 1 7 . 1 1 90 90 VAL H H 90 9.086 9.086 8.391 0.695 25819 2978 1 7 . 1 1 91 91 THR N N 91 120.505 120.505 122.054 -1.549 25819 2979 1 7 . 1 1 91 91 THR HA H 91 4.568 4.568 4.675 -0.107 25819 2980 1 7 . 1 1 91 91 THR CA C 91 59.348 59.348 60.372 -1.024 25819 2981 1 7 . 1 1 91 91 THR CB C 91 68.970 68.970 70.570 -1.600 25819 2982 1 7 . 1 1 91 91 THR H H 91 8.757 8.757 8.685 0.072 25819 2983 1 8 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.578 -0.301 25819 2984 1 8 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.047 -1.826 25819 2985 1 8 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.851 -1.435 25819 2986 1 8 . 1 1 3 3 ALA N N 3 123.804 123.804 123.466 0.338 25819 2987 1 8 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.548 -0.342 25819 2988 1 8 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.667 -0.272 25819 2989 1 8 . 1 1 3 3 ALA CB C 3 18.840 18.840 21.061 -2.221 25819 2990 1 8 . 1 1 3 3 ALA H H 3 8.647 8.647 8.013 0.634 25819 2991 1 8 . 1 1 4 4 ALA N N 4 124.058 124.058 124.490 -0.432 25819 2992 1 8 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.650 0.059 25819 2993 1 8 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.626 -0.604 25819 2994 1 8 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.929 -1.032 25819 2995 1 8 . 1 1 4 4 ALA H H 4 8.239 8.239 8.246 -0.007 25819 2996 1 8 . 1 1 5 5 LEU N N 5 124.018 124.018 122.447 1.571 25819 2997 1 8 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.564 -1.192 25819 2998 1 8 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.556 -1.548 25819 2999 1 8 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.942 -0.700 25819 3000 1 8 . 1 1 5 5 LEU H H 5 8.560 8.560 8.840 -0.280 25819 3001 1 8 . 1 1 6 6 VAL N N 6 123.357 123.357 121.882 1.475 25819 3002 1 8 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.223 -0.126 25819 3003 1 8 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.434 -0.094 25819 3004 1 8 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.656 -0.708 25819 3005 1 8 . 1 1 6 6 VAL H H 6 9.119 9.119 8.205 0.914 25819 3006 1 8 . 1 1 7 7 SER N N 7 112.137 112.137 114.303 -2.166 25819 3007 1 8 . 1 1 7 7 SER HA H 7 4.445 4.445 4.854 -0.409 25819 3008 1 8 . 1 1 7 7 SER CA C 7 56.349 56.349 57.856 -1.507 25819 3009 1 8 . 1 1 7 7 SER CB C 7 64.361 64.361 66.665 -2.304 25819 3010 1 8 . 1 1 7 7 SER H H 7 7.680 7.680 7.684 -0.004 25819 3011 1 8 . 1 1 8 8 ILE N N 8 118.674 118.674 115.608 3.066 25819 3012 1 8 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.204 -0.531 25819 3013 1 8 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.590 -0.444 25819 3014 1 8 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.593 -0.919 25819 3015 1 8 . 1 1 8 8 ILE H H 8 8.354 8.354 8.210 0.144 25819 3016 1 8 . 1 1 9 9 SER N N 9 121.319 121.319 120.180 1.139 25819 3017 1 8 . 1 1 9 9 SER HA H 9 4.863 4.863 4.957 -0.094 25819 3018 1 8 . 1 1 9 9 SER CA C 9 55.381 55.381 57.176 -1.795 25819 3019 1 8 . 1 1 9 9 SER CB C 9 64.243 64.243 63.696 0.547 25819 3020 1 8 . 1 1 9 9 SER H H 9 9.028 9.028 8.703 0.325 25819 3021 1 8 . 1 1 10 10 VAL N N 10 127.509 127.509 120.673 6.836 25819 3022 1 8 . 1 1 10 10 VAL HA H 10 5.050 5.050 5.042 0.008 25819 3023 1 8 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.708 1.204 25819 3024 1 8 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.862 -0.475 25819 3025 1 8 . 1 1 10 10 VAL H H 10 8.911 8.911 8.569 0.342 25819 3026 1 8 . 1 1 11 11 SER N N 11 121.860 121.860 121.636 0.224 25819 3027 1 8 . 1 1 11 11 SER CB C 11 64.373 64.373 63.181 1.192 25819 3028 1 8 . 1 1 11 11 SER H H 11 9.206 9.206 8.752 0.454 25819 3029 1 8 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.927 -0.223 25819 3030 1 8 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.928 -2.029 25819 3031 1 8 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.649 1.440 25819 3032 1 8 . 1 1 13 13 THR N N 13 116.137 116.137 118.270 -2.133 25819 3033 1 8 . 1 1 13 13 THR HA H 13 4.770 4.770 4.458 0.312 25819 3034 1 8 . 1 1 13 13 THR CA C 13 60.153 60.153 61.565 -1.412 25819 3035 1 8 . 1 1 13 13 THR CB C 13 69.426 69.426 70.224 -0.798 25819 3036 1 8 . 1 1 13 13 THR H H 13 8.679 8.679 8.584 0.095 25819 3037 1 8 . 1 1 14 14 ASN N N 14 124.457 124.457 125.551 -1.094 25819 3038 1 8 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.817 -0.122 25819 3039 1 8 . 1 1 14 14 ASN CA C 14 53.128 53.128 51.936 1.192 25819 3040 1 8 . 1 1 14 14 ASN CB C 14 36.593 36.593 37.328 -0.735 25819 3041 1 8 . 1 1 14 14 ASN H H 14 8.710 8.710 8.780 -0.070 25819 3042 1 8 . 1 1 15 15 SER N N 15 113.673 113.673 116.570 -2.897 25819 3043 1 8 . 1 1 15 15 SER HA H 15 4.648 4.648 4.685 -0.037 25819 3044 1 8 . 1 1 15 15 SER CA C 15 55.644 55.644 56.672 -1.028 25819 3045 1 8 . 1 1 15 15 SER CB C 15 63.953 63.953 65.194 -1.241 25819 3046 1 8 . 1 1 15 15 SER H H 15 9.127 9.127 7.388 1.739 25819 3047 1 8 . 1 1 16 16 THR N N 16 113.579 113.579 115.391 -1.812 25819 3048 1 8 . 1 1 16 16 THR HA H 16 4.976 4.976 4.720 0.256 25819 3049 1 8 . 1 1 16 16 THR CA C 16 58.445 58.445 60.782 -2.337 25819 3050 1 8 . 1 1 16 16 THR CB C 16 70.534 70.534 70.339 0.195 25819 3051 1 8 . 1 1 16 16 THR H H 16 7.962 7.962 8.215 -0.253 25819 3052 1 8 . 1 1 17 17 VAL N N 17 121.479 121.479 125.426 -3.947 25819 3053 1 8 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.491 -0.171 25819 3054 1 8 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.601 0.336 25819 3055 1 8 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.498 -0.095 25819 3056 1 8 . 1 1 17 17 VAL H H 17 7.969 7.969 8.575 -0.606 25819 3057 1 8 . 1 1 18 18 ALA N N 18 126.014 126.014 128.061 -2.047 25819 3058 1 8 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.258 -0.083 25819 3059 1 8 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.150 -1.187 25819 3060 1 8 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.404 -0.482 25819 3061 1 8 . 1 1 18 18 ALA H H 18 7.756 7.756 8.245 -0.489 25819 3062 1 8 . 1 1 19 19 LYS N N 19 119.741 119.741 122.820 -3.079 25819 3063 1 8 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.095 -0.608 25819 3064 1 8 . 1 1 19 19 LYS CA C 19 57.772 57.772 56.857 0.915 25819 3065 1 8 . 1 1 19 19 LYS CB C 19 31.602 31.602 31.818 -0.216 25819 3066 1 8 . 1 1 19 19 LYS H H 19 7.892 7.892 8.442 -0.550 25819 3067 1 8 . 1 1 20 20 GLY N N 20 116.709 116.709 113.123 3.586 25819 3068 1 8 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.583 -1.820 25819 3069 1 8 . 1 1 20 20 GLY H H 20 8.615 8.615 8.570 0.045 25819 3070 1 8 . 1 1 21 21 LEU N N 21 123.004 123.004 124.344 -1.340 25819 3071 1 8 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.585 0.003 25819 3072 1 8 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.335 -0.970 25819 3073 1 8 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.911 -4.949 25819 3074 1 8 . 1 1 21 21 LEU H H 21 8.013 8.013 8.199 -0.186 25819 3075 1 8 . 1 1 22 22 GLN N N 22 117.503 117.503 117.458 0.045 25819 3076 1 8 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.051 0.077 25819 3077 1 8 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.565 -0.896 25819 3078 1 8 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.221 -1.307 25819 3079 1 8 . 1 1 22 22 GLN H H 22 8.223 8.223 8.278 -0.055 25819 3080 1 8 . 1 1 23 23 GLU N N 23 118.126 118.126 120.789 -2.663 25819 3081 1 8 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.489 0.074 25819 3082 1 8 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.595 -1.728 25819 3083 1 8 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.912 -1.038 25819 3084 1 8 . 1 1 23 23 GLU H H 23 8.188 8.188 8.622 -0.434 25819 3085 1 8 . 1 1 24 24 ASN N N 24 125.841 125.841 120.821 5.020 25819 3086 1 8 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.684 0.094 25819 3087 1 8 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.071 -0.560 25819 3088 1 8 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.629 0.117 25819 3089 1 8 . 1 1 24 24 ASN H H 24 9.390 9.390 8.340 1.050 25819 3090 1 8 . 1 1 25 25 PHE N N 25 122.824 122.824 122.211 0.613 25819 3091 1 8 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.591 0.060 25819 3092 1 8 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.506 0.617 25819 3093 1 8 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.954 -2.895 25819 3094 1 8 . 1 1 25 25 PHE H H 25 8.061 8.061 8.932 -0.871 25819 3095 1 8 . 1 1 26 26 LYS N N 26 119.114 119.114 122.605 -3.491 25819 3096 1 8 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.716 0.528 25819 3097 1 8 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.534 -2.558 25819 3098 1 8 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.346 -1.685 25819 3099 1 8 . 1 1 26 26 LYS H H 26 9.255 9.255 8.930 0.325 25819 3100 1 8 . 1 1 27 27 ALA N N 27 125.583 125.583 128.023 -2.440 25819 3101 1 8 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.556 -0.294 25819 3102 1 8 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.110 -2.293 25819 3103 1 8 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.189 -1.029 25819 3104 1 8 . 1 1 27 27 ALA H H 27 9.120 9.120 8.567 0.553 25819 3105 1 8 . 1 1 28 28 THR HA H 28 4.837 4.837 4.753 0.084 25819 3106 1 8 . 1 1 28 28 THR CA C 28 60.566 60.566 60.723 -0.157 25819 3107 1 8 . 1 1 28 28 THR CB C 28 69.478 69.478 70.645 -1.167 25819 3108 1 8 . 1 1 28 28 THR H H 28 9.062 9.062 8.450 0.612 25819 3109 1 8 . 1 1 29 29 GLY N N 29 115.789 115.789 113.538 2.251 25819 3110 1 8 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.661 0.655 25819 3111 1 8 . 1 1 29 29 GLY H H 29 9.662 9.662 9.066 0.596 25819 3112 1 8 . 1 1 30 30 ILE N N 30 123.084 123.084 123.175 -0.091 25819 3113 1 8 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.229 0.549 25819 3114 1 8 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.365 1.023 25819 3115 1 8 . 1 1 30 30 ILE CB C 30 36.883 36.883 39.995 -3.112 25819 3116 1 8 . 1 1 30 30 ILE H H 30 7.914 7.914 8.751 -0.837 25819 3117 1 8 . 1 1 31 31 PHE N N 31 125.209 125.209 121.268 3.941 25819 3118 1 8 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.202 0.168 25819 3119 1 8 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.915 0.572 25819 3120 1 8 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.483 -1.330 25819 3121 1 8 . 1 1 31 31 PHE H H 31 8.316 8.316 7.849 0.467 25819 3122 1 8 . 1 1 32 32 THR N N 32 113.842 113.842 117.508 -3.666 25819 3123 1 8 . 1 1 32 32 THR HA H 32 4.404 4.404 4.229 0.175 25819 3124 1 8 . 1 1 32 32 THR CA C 32 64.157 64.157 65.760 -1.603 25819 3125 1 8 . 1 1 32 32 THR CB C 32 68.540 68.540 69.011 -0.471 25819 3126 1 8 . 1 1 32 32 THR H H 32 9.335 9.335 8.866 0.469 25819 3127 1 8 . 1 1 33 33 ASP N N 33 118.799 118.799 120.071 -1.272 25819 3128 1 8 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.661 -0.040 25819 3129 1 8 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.402 -1.439 25819 3130 1 8 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.153 -1.659 25819 3131 1 8 . 1 1 33 33 ASP H H 33 7.689 7.689 8.432 -0.743 25819 3132 1 8 . 1 1 34 34 ASN N N 34 112.993 112.993 115.195 -2.202 25819 3133 1 8 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.437 -0.089 25819 3134 1 8 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.734 -0.388 25819 3135 1 8 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.260 0.230 25819 3136 1 8 . 1 1 34 34 ASN H H 34 8.370 8.370 7.968 0.402 25819 3137 1 8 . 1 1 35 35 SER N N 35 115.543 115.543 115.022 0.521 25819 3138 1 8 . 1 1 35 35 SER HA H 35 4.413 4.413 4.636 -0.223 25819 3139 1 8 . 1 1 35 35 SER CA C 35 57.882 57.882 57.352 0.530 25819 3140 1 8 . 1 1 35 35 SER CB C 35 63.770 63.770 64.276 -0.506 25819 3141 1 8 . 1 1 35 35 SER H H 35 7.990 7.990 7.933 0.057 25819 3142 1 8 . 1 1 36 36 ASN N N 36 116.051 116.051 125.717 -9.666 25819 3143 1 8 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.080 -2.406 25819 3144 1 8 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.905 1.894 25819 3145 1 8 . 1 1 36 36 ASN H H 36 8.518 8.518 8.808 -0.290 25819 3146 1 8 . 1 1 37 37 SER N N 37 113.191 113.191 118.299 -5.108 25819 3147 1 8 . 1 1 37 37 SER HA H 37 4.715 4.715 4.800 -0.085 25819 3148 1 8 . 1 1 37 37 SER CA C 37 56.801 56.801 57.095 -0.294 25819 3149 1 8 . 1 1 37 37 SER CB C 37 64.872 64.872 66.136 -1.264 25819 3150 1 8 . 1 1 37 37 SER H H 37 8.667 8.667 8.948 -0.281 25819 3151 1 8 . 1 1 38 38 ASP N N 38 123.961 123.961 121.189 2.772 25819 3152 1 8 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.683 0.304 25819 3153 1 8 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.389 0.812 25819 3154 1 8 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.942 -1.013 25819 3155 1 8 . 1 1 38 38 ASP H H 38 8.848 8.848 8.540 0.308 25819 3156 1 8 . 1 1 39 39 ILE N N 39 121.217 121.217 116.397 4.820 25819 3157 1 8 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.768 1.103 25819 3158 1 8 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.831 -2.124 25819 3159 1 8 . 1 1 39 39 ILE CB C 39 37.086 37.086 34.907 2.179 25819 3160 1 8 . 1 1 39 39 ILE H H 39 8.815 8.815 8.365 0.450 25819 3161 1 8 . 1 1 40 40 THR N N 40 122.868 122.868 116.474 6.394 25819 3162 1 8 . 1 1 40 40 THR HA H 40 4.288 4.288 4.041 0.247 25819 3163 1 8 . 1 1 40 40 THR CB C 40 68.527 68.527 68.977 -0.450 25819 3164 1 8 . 1 1 40 40 THR H H 40 8.679 8.679 8.354 0.325 25819 3165 1 8 . 1 1 41 41 ASP N N 41 114.082 114.082 118.988 -4.906 25819 3166 1 8 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.886 -1.188 25819 3167 1 8 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.763 -0.285 25819 3168 1 8 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.591 -1.873 25819 3169 1 8 . 1 1 41 41 ASP H H 41 8.539 8.539 8.425 0.114 25819 3170 1 8 . 1 1 42 42 GLN N N 42 117.086 117.086 116.718 0.368 25819 3171 1 8 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.060 0.091 25819 3172 1 8 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.214 -0.678 25819 3173 1 8 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.049 3.167 25819 3174 1 8 . 1 1 42 42 GLN H H 42 7.718 7.718 7.567 0.151 25819 3175 1 8 . 1 1 43 43 VAL N N 43 109.916 109.916 122.429 -12.513 25819 3176 1 8 . 1 1 43 43 VAL HA H 43 4.089 4.089 3.933 0.156 25819 3177 1 8 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.548 -4.708 25819 3178 1 8 . 1 1 43 43 VAL CB C 43 31.273 31.273 31.913 -0.640 25819 3179 1 8 . 1 1 43 43 VAL H H 43 6.902 6.902 8.196 -1.294 25819 3180 1 8 . 1 1 44 44 THR N N 44 116.273 116.273 123.442 -7.169 25819 3181 1 8 . 1 1 44 44 THR HA H 44 4.315 4.315 4.698 -0.383 25819 3182 1 8 . 1 1 44 44 THR CA C 44 61.651 61.651 61.153 0.499 25819 3183 1 8 . 1 1 44 44 THR CB C 44 68.890 68.890 70.119 -1.229 25819 3184 1 8 . 1 1 44 44 THR H H 44 8.787 8.787 7.958 0.829 25819 3185 1 8 . 1 1 45 45 TRP N N 45 132.098 132.098 127.231 4.867 25819 3186 1 8 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.068 0.177 25819 3187 1 8 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.143 -0.756 25819 3188 1 8 . 1 1 45 45 TRP CB C 45 30.077 30.077 32.158 -2.081 25819 3189 1 8 . 1 1 45 45 TRP H H 45 10.351 10.351 8.704 1.647 25819 3190 1 8 . 1 1 46 46 ASP N N 46 121.897 121.897 119.653 2.244 25819 3191 1 8 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.073 -0.216 25819 3192 1 8 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.668 -0.871 25819 3193 1 8 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.590 -0.515 25819 3194 1 8 . 1 1 46 46 ASP H H 46 9.471 9.471 8.879 0.592 25819 3195 1 8 . 1 1 47 47 SER N N 47 113.803 113.803 116.473 -2.670 25819 3196 1 8 . 1 1 47 47 SER HA H 47 5.043 5.043 5.277 -0.234 25819 3197 1 8 . 1 1 47 47 SER CA C 47 53.059 53.059 56.373 -3.313 25819 3198 1 8 . 1 1 47 47 SER CB C 47 64.880 64.880 65.033 -0.153 25819 3199 1 8 . 1 1 47 47 SER H H 47 8.502 8.502 8.479 0.023 25819 3200 1 8 . 1 1 48 48 SER N N 48 119.614 119.614 119.627 -0.013 25819 3201 1 8 . 1 1 48 48 SER HA H 48 4.264 4.264 4.304 -0.040 25819 3202 1 8 . 1 1 48 48 SER CA C 48 59.404 59.404 59.415 -0.011 25819 3203 1 8 . 1 1 48 48 SER CB C 48 62.026 62.026 63.336 -1.310 25819 3204 1 8 . 1 1 48 48 SER H H 48 8.517 8.517 8.568 -0.051 25819 3205 1 8 . 1 1 49 49 ASN N N 49 118.259 118.259 117.841 0.418 25819 3206 1 8 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.559 0.339 25819 3207 1 8 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.541 -0.700 25819 3208 1 8 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.316 -0.596 25819 3209 1 8 . 1 1 49 49 ASN H H 49 7.816 7.816 7.801 0.015 25819 3210 1 8 . 1 1 50 50 THR N N 50 119.289 119.289 119.180 0.109 25819 3211 1 8 . 1 1 50 50 THR HA H 50 4.541 4.541 4.308 0.233 25819 3212 1 8 . 1 1 50 50 THR CA C 50 62.137 62.137 63.802 -1.665 25819 3213 1 8 . 1 1 50 50 THR CB C 50 67.100 67.100 69.311 -2.211 25819 3214 1 8 . 1 1 50 50 THR H H 50 9.049 9.049 8.249 0.800 25819 3215 1 8 . 1 1 51 51 ASP N N 51 118.825 118.825 119.385 -0.560 25819 3216 1 8 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.768 -0.182 25819 3217 1 8 . 1 1 51 51 ASP CA C 51 54.690 54.690 53.858 0.832 25819 3218 1 8 . 1 1 51 51 ASP CB C 51 39.658 39.658 44.031 -4.373 25819 3219 1 8 . 1 1 51 51 ASP H H 51 8.251 8.251 8.164 0.087 25819 3220 1 8 . 1 1 52 52 ILE N N 52 118.411 118.411 119.499 -1.088 25819 3221 1 8 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.266 -0.341 25819 3222 1 8 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.190 0.491 25819 3223 1 8 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.568 -0.672 25819 3224 1 8 . 1 1 52 52 ILE H H 52 7.169 7.169 7.651 -0.482 25819 3225 1 8 . 1 1 53 53 LEU N N 53 120.128 120.128 124.279 -4.151 25819 3226 1 8 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.920 0.101 25819 3227 1 8 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.275 0.006 25819 3228 1 8 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.855 1.550 25819 3229 1 8 . 1 1 53 53 LEU H H 53 7.876 7.876 8.110 -0.234 25819 3230 1 8 . 1 1 54 54 SER N N 54 122.251 122.251 117.144 5.107 25819 3231 1 8 . 1 1 54 54 SER HA H 54 4.959 4.959 4.887 0.072 25819 3232 1 8 . 1 1 54 54 SER CA C 54 54.724 54.724 57.639 -2.914 25819 3233 1 8 . 1 1 54 54 SER CB C 54 64.417 64.417 65.789 -1.372 25819 3234 1 8 . 1 1 54 54 SER H H 54 8.650 8.650 8.700 -0.050 25819 3235 1 8 . 1 1 55 55 ILE N N 55 123.973 123.973 121.127 2.846 25819 3236 1 8 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.475 0.426 25819 3237 1 8 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.096 -1.228 25819 3238 1 8 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.769 0.649 25819 3239 1 8 . 1 1 55 55 ILE H H 55 9.082 9.082 8.243 0.839 25819 3240 1 8 . 1 1 56 56 SER N N 56 119.539 119.539 122.418 -2.879 25819 3241 1 8 . 1 1 56 56 SER HA H 56 4.387 4.387 4.867 -0.480 25819 3242 1 8 . 1 1 56 56 SER CA C 56 56.626 56.626 57.325 -0.699 25819 3243 1 8 . 1 1 56 56 SER CB C 56 63.106 63.106 64.544 -1.438 25819 3244 1 8 . 1 1 56 56 SER H H 56 7.905 7.905 8.241 -0.336 25819 3245 1 8 . 1 1 57 57 ASN N N 57 124.209 124.209 124.525 -0.316 25819 3246 1 8 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.990 0.029 25819 3247 1 8 . 1 1 57 57 ASN CA C 57 52.469 52.469 54.270 -1.800 25819 3248 1 8 . 1 1 57 57 ASN CB C 57 40.090 40.090 40.163 -0.073 25819 3249 1 8 . 1 1 57 57 ASN H H 57 8.945 8.945 8.903 0.042 25819 3250 1 8 . 1 1 58 58 ALA N N 58 124.300 124.300 122.465 1.835 25819 3251 1 8 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.458 -0.325 25819 3252 1 8 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.762 -1.475 25819 3253 1 8 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.324 0.030 25819 3254 1 8 . 1 1 58 58 ALA H H 58 8.150 8.150 8.230 -0.080 25819 3255 1 8 . 1 1 59 59 SER N N 59 113.299 113.299 113.233 0.066 25819 3256 1 8 . 1 1 59 59 SER HA H 59 4.698 4.698 4.202 0.496 25819 3257 1 8 . 1 1 59 59 SER CA C 59 60.003 60.003 60.513 -0.510 25819 3258 1 8 . 1 1 59 59 SER CB C 59 62.574 62.574 63.249 -0.675 25819 3259 1 8 . 1 1 59 59 SER H H 59 8.377 8.377 8.172 0.205 25819 3260 1 8 . 1 1 60 60 ASP N N 60 116.275 116.275 115.081 1.194 25819 3261 1 8 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.555 0.107 25819 3262 1 8 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.646 -1.887 25819 3263 1 8 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.333 -1.621 25819 3264 1 8 . 1 1 60 60 ASP H H 60 8.311 8.311 7.782 0.529 25819 3265 1 8 . 1 1 61 61 SER N N 61 112.649 112.649 113.455 -0.806 25819 3266 1 8 . 1 1 61 61 SER HA H 61 4.630 4.630 4.314 0.316 25819 3267 1 8 . 1 1 61 61 SER CA C 61 56.180 56.180 58.566 -2.386 25819 3268 1 8 . 1 1 61 61 SER CB C 61 61.843 61.843 63.702 -1.859 25819 3269 1 8 . 1 1 61 61 SER H H 61 7.588 7.588 7.786 -0.198 25819 3270 1 8 . 1 1 62 62 HIS N N 62 119.790 119.790 121.412 -1.622 25819 3271 1 8 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.484 -0.437 25819 3272 1 8 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.258 0.661 25819 3273 1 8 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.937 -2.413 25819 3274 1 8 . 1 1 62 62 HIS H H 62 8.030 8.030 7.656 0.374 25819 3275 1 8 . 1 1 63 63 GLY N N 63 113.301 113.301 108.196 5.105 25819 3276 1 8 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.478 -0.825 25819 3277 1 8 . 1 1 63 63 GLY H H 63 8.733 8.733 8.561 0.172 25819 3278 1 8 . 1 1 64 64 LEU N N 64 120.664 120.664 125.530 -4.866 25819 3279 1 8 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.216 -0.830 25819 3280 1 8 . 1 1 64 64 LEU CA C 64 54.893 54.893 52.990 1.903 25819 3281 1 8 . 1 1 64 64 LEU CB C 64 41.463 41.463 46.723 -5.260 25819 3282 1 8 . 1 1 64 64 LEU H H 64 7.679 7.679 7.855 -0.176 25819 3283 1 8 . 1 1 65 65 ALA N N 65 108.347 108.347 122.496 -14.149 25819 3284 1 8 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.663 0.739 25819 3285 1 8 . 1 1 65 65 ALA CA C 65 49.267 49.267 51.156 -1.889 25819 3286 1 8 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.939 -0.384 25819 3287 1 8 . 1 1 65 65 ALA H H 65 9.874 9.874 8.592 1.282 25819 3288 1 8 . 1 1 66 66 SER N N 66 115.951 115.951 119.832 -3.881 25819 3289 1 8 . 1 1 66 66 SER HA H 66 4.909 4.909 5.305 -0.396 25819 3290 1 8 . 1 1 66 66 SER CA C 66 56.645 56.645 56.085 0.560 25819 3291 1 8 . 1 1 66 66 SER CB C 66 63.823 63.823 64.419 -0.596 25819 3292 1 8 . 1 1 66 66 SER H H 66 8.938 8.938 8.699 0.239 25819 3293 1 8 . 1 1 67 67 THR N N 67 113.595 113.595 123.523 -9.928 25819 3294 1 8 . 1 1 67 67 THR HA H 67 4.649 4.649 4.883 -0.234 25819 3295 1 8 . 1 1 67 67 THR CA C 67 59.216 59.216 61.697 -2.481 25819 3296 1 8 . 1 1 67 67 THR CB C 67 69.006 69.006 70.302 -1.296 25819 3297 1 8 . 1 1 67 67 THR H H 67 8.258 8.258 8.446 -0.188 25819 3298 1 8 . 1 1 68 68 LEU N N 68 124.152 124.152 124.467 -0.315 25819 3299 1 8 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.687 -0.331 25819 3300 1 8 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.990 0.122 25819 3301 1 8 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.450 0.465 25819 3302 1 8 . 1 1 68 68 LEU H H 68 8.616 8.616 8.018 0.598 25819 3303 1 8 . 1 1 69 69 ASN N N 69 115.821 115.821 115.793 0.028 25819 3304 1 8 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.932 -0.288 25819 3305 1 8 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.471 -0.015 25819 3306 1 8 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.923 1.383 25819 3307 1 8 . 1 1 69 69 ASN H H 69 7.965 7.965 7.716 0.249 25819 3308 1 8 . 1 1 70 70 GLN N N 70 114.564 114.564 116.758 -2.194 25819 3309 1 8 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.705 -0.780 25819 3310 1 8 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.982 0.255 25819 3311 1 8 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.911 0.095 25819 3312 1 8 . 1 1 70 70 GLN H H 70 8.287 8.287 8.573 -0.286 25819 3313 1 8 . 1 1 71 71 GLY N N 71 108.006 108.006 109.369 -1.363 25819 3314 1 8 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.270 -1.584 25819 3315 1 8 . 1 1 71 71 GLY H H 71 8.520 8.520 8.104 0.416 25819 3316 1 8 . 1 1 72 72 ASN N N 72 117.784 117.784 118.532 -0.748 25819 3317 1 8 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.170 0.303 25819 3318 1 8 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.391 -0.700 25819 3319 1 8 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.755 -0.859 25819 3320 1 8 . 1 1 72 72 ASN H H 72 8.420 8.420 8.358 0.062 25819 3321 1 8 . 1 1 73 73 VAL N N 73 115.849 115.849 116.438 -0.589 25819 3322 1 8 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.623 -0.092 25819 3323 1 8 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.473 -0.498 25819 3324 1 8 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.590 -0.411 25819 3325 1 8 . 1 1 73 73 VAL H H 73 8.990 8.990 9.044 -0.054 25819 3326 1 8 . 1 1 74 74 LYS N N 74 123.196 123.196 124.078 -0.882 25819 3327 1 8 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.650 0.506 25819 3328 1 8 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.685 -0.804 25819 3329 1 8 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.229 0.368 25819 3330 1 8 . 1 1 74 74 LYS H H 74 8.716 8.716 8.630 0.086 25819 3331 1 8 . 1 1 75 75 VAL N N 75 129.522 129.522 129.907 -0.385 25819 3332 1 8 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.822 -0.280 25819 3333 1 8 . 1 1 75 75 VAL CA C 75 60.816 60.816 62.208 -1.392 25819 3334 1 8 . 1 1 75 75 VAL CB C 75 32.483 32.483 31.975 0.508 25819 3335 1 8 . 1 1 75 75 VAL H H 75 8.975 8.975 8.443 0.532 25819 3336 1 8 . 1 1 76 76 THR N N 76 120.548 120.548 122.979 -2.431 25819 3337 1 8 . 1 1 76 76 THR HA H 76 5.066 5.066 4.666 0.400 25819 3338 1 8 . 1 1 76 76 THR CA C 76 59.783 59.783 60.576 -0.793 25819 3339 1 8 . 1 1 76 76 THR CB C 76 70.733 70.733 71.326 -0.593 25819 3340 1 8 . 1 1 76 76 THR H H 76 8.650 8.650 9.223 -0.573 25819 3341 1 8 . 1 1 77 77 ALA N N 77 126.454 126.454 126.412 0.042 25819 3342 1 8 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.127 -0.747 25819 3343 1 8 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.007 -1.577 25819 3344 1 8 . 1 1 77 77 ALA CB C 77 20.544 20.544 21.958 -1.414 25819 3345 1 8 . 1 1 77 77 ALA H H 77 8.674 8.674 8.027 0.647 25819 3346 1 8 . 1 1 78 78 SER N N 78 113.568 113.568 113.915 -0.347 25819 3347 1 8 . 1 1 78 78 SER HA H 78 5.376 5.376 4.674 0.702 25819 3348 1 8 . 1 1 78 78 SER CA C 78 56.077 56.077 57.959 -1.882 25819 3349 1 8 . 1 1 78 78 SER CB C 78 65.730 65.730 66.064 -0.334 25819 3350 1 8 . 1 1 78 78 SER H H 78 8.117 8.117 8.077 0.040 25819 3351 1 8 . 1 1 79 79 ILE N N 79 121.071 121.071 124.237 -3.166 25819 3352 1 8 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.425 -0.284 25819 3353 1 8 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.344 1.780 25819 3354 1 8 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.324 -2.515 25819 3355 1 8 . 1 1 79 79 ILE H H 79 8.446 8.446 7.668 0.778 25819 3356 1 8 . 1 1 80 80 GLY N N 80 117.157 117.157 114.378 2.779 25819 3357 1 8 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.686 -0.680 25819 3358 1 8 . 1 1 80 80 GLY H H 80 8.899 8.899 8.592 0.307 25819 3359 1 8 . 1 1 81 81 GLY N N 81 110.715 110.715 110.949 -0.234 25819 3360 1 8 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.255 -0.877 25819 3361 1 8 . 1 1 81 81 GLY H H 81 8.742 8.742 8.112 0.630 25819 3362 1 8 . 1 1 82 82 ILE N N 82 124.113 124.113 122.047 2.066 25819 3363 1 8 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.272 -0.072 25819 3364 1 8 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.472 -0.439 25819 3365 1 8 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.631 -1.854 25819 3366 1 8 . 1 1 82 82 ILE H H 82 8.188 8.188 7.829 0.359 25819 3367 1 8 . 1 1 83 83 GLN N N 83 122.455 122.455 121.585 0.870 25819 3368 1 8 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.412 0.983 25819 3369 1 8 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.166 -1.146 25819 3370 1 8 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.140 0.375 25819 3371 1 8 . 1 1 83 83 GLN H H 83 8.423 8.423 8.195 0.228 25819 3372 1 8 . 1 1 84 84 GLY N N 84 111.437 111.437 107.251 4.186 25819 3373 1 8 . 1 1 84 84 GLY H H 84 8.931 8.931 8.200 0.731 25819 3374 1 8 . 1 1 85 85 SER N N 85 113.878 113.878 114.426 -0.548 25819 3375 1 8 . 1 1 85 85 SER HA H 85 5.841 5.841 5.098 0.743 25819 3376 1 8 . 1 1 85 85 SER CA C 85 56.264 56.264 57.255 -0.991 25819 3377 1 8 . 1 1 85 85 SER CB C 85 66.946 66.946 66.974 -0.028 25819 3378 1 8 . 1 1 85 85 SER H H 85 8.710 8.710 8.236 0.474 25819 3379 1 8 . 1 1 86 86 THR N N 86 115.389 115.389 115.886 -0.497 25819 3380 1 8 . 1 1 86 86 THR HA H 86 4.772 4.772 4.596 0.176 25819 3381 1 8 . 1 1 86 86 THR CA C 86 60.313 60.313 61.641 -1.328 25819 3382 1 8 . 1 1 86 86 THR CB C 86 69.852 69.852 71.670 -1.818 25819 3383 1 8 . 1 1 86 86 THR H H 86 8.854 8.854 8.843 0.011 25819 3384 1 8 . 1 1 87 87 ASP N N 87 124.623 124.623 122.031 2.592 25819 3385 1 8 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.961 0.475 25819 3386 1 8 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.154 0.642 25819 3387 1 8 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.968 -0.958 25819 3388 1 8 . 1 1 87 87 ASP H H 87 7.953 7.953 8.303 -0.350 25819 3389 1 8 . 1 1 88 88 PHE N N 88 123.574 123.574 124.578 -1.004 25819 3390 1 8 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.610 -0.679 25819 3391 1 8 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.359 0.609 25819 3392 1 8 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.897 -1.013 25819 3393 1 8 . 1 1 88 88 PHE H H 88 9.094 9.094 8.530 0.564 25819 3394 1 8 . 1 1 89 89 LYS N N 89 126.965 126.965 123.572 3.393 25819 3395 1 8 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.968 0.070 25819 3396 1 8 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.386 -1.497 25819 3397 1 8 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.069 -0.400 25819 3398 1 8 . 1 1 89 89 LYS H H 89 7.269 7.269 8.318 -1.049 25819 3399 1 8 . 1 1 90 90 VAL N N 90 126.148 126.148 127.982 -1.834 25819 3400 1 8 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.065 -0.054 25819 3401 1 8 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.568 -2.021 25819 3402 1 8 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.321 -1.373 25819 3403 1 8 . 1 1 90 90 VAL H H 90 9.086 9.086 8.662 0.424 25819 3404 1 8 . 1 1 91 91 THR N N 91 120.505 120.505 122.346 -1.841 25819 3405 1 8 . 1 1 91 91 THR HA H 91 4.568 4.568 4.667 -0.099 25819 3406 1 8 . 1 1 91 91 THR CA C 91 59.348 59.348 60.366 -1.018 25819 3407 1 8 . 1 1 91 91 THR CB C 91 68.970 68.970 70.595 -1.625 25819 3408 1 8 . 1 1 91 91 THR H H 91 8.757 8.757 8.281 0.476 25819 3409 1 9 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.638 -0.361 25819 3410 1 9 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.683 -1.462 25819 3411 1 9 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.802 -1.386 25819 3412 1 9 . 1 1 3 3 ALA N N 3 123.804 123.804 124.283 -0.479 25819 3413 1 9 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.620 -0.414 25819 3414 1 9 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.359 0.036 25819 3415 1 9 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.370 -1.530 25819 3416 1 9 . 1 1 3 3 ALA H H 3 8.647 8.647 8.354 0.293 25819 3417 1 9 . 1 1 4 4 ALA N N 4 124.058 124.058 127.788 -3.730 25819 3418 1 9 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.895 -0.186 25819 3419 1 9 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.425 -0.403 25819 3420 1 9 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.774 -0.877 25819 3421 1 9 . 1 1 4 4 ALA H H 4 8.239 8.239 8.813 -0.574 25819 3422 1 9 . 1 1 5 5 LEU N N 5 124.018 124.018 120.374 3.644 25819 3423 1 9 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.092 -0.720 25819 3424 1 9 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.651 -0.643 25819 3425 1 9 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.345 -0.103 25819 3426 1 9 . 1 1 5 5 LEU H H 5 8.560 8.560 8.495 0.065 25819 3427 1 9 . 1 1 6 6 VAL N N 6 123.357 123.357 118.961 4.396 25819 3428 1 9 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.183 -0.086 25819 3429 1 9 . 1 1 6 6 VAL CA C 6 62.340 62.340 63.024 -0.684 25819 3430 1 9 . 1 1 6 6 VAL CB C 6 32.948 32.948 34.211 -1.263 25819 3431 1 9 . 1 1 6 6 VAL H H 6 9.119 9.119 7.837 1.282 25819 3432 1 9 . 1 1 7 7 SER N N 7 112.137 112.137 113.898 -1.761 25819 3433 1 9 . 1 1 7 7 SER HA H 7 4.445 4.445 4.748 -0.303 25819 3434 1 9 . 1 1 7 7 SER CA C 7 56.349 56.349 57.947 -1.598 25819 3435 1 9 . 1 1 7 7 SER CB C 7 64.361 64.361 66.254 -1.893 25819 3436 1 9 . 1 1 7 7 SER H H 7 7.680 7.680 7.548 0.132 25819 3437 1 9 . 1 1 8 8 ILE N N 8 118.674 118.674 116.039 2.635 25819 3438 1 9 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.249 -0.576 25819 3439 1 9 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.605 -0.459 25819 3440 1 9 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.548 -0.875 25819 3441 1 9 . 1 1 8 8 ILE H H 8 8.354 8.354 8.172 0.182 25819 3442 1 9 . 1 1 9 9 SER N N 9 121.319 121.319 119.467 1.852 25819 3443 1 9 . 1 1 9 9 SER HA H 9 4.863 4.863 4.891 -0.028 25819 3444 1 9 . 1 1 9 9 SER CA C 9 55.381 55.381 57.055 -1.674 25819 3445 1 9 . 1 1 9 9 SER CB C 9 64.243 64.243 63.585 0.658 25819 3446 1 9 . 1 1 9 9 SER H H 9 9.028 9.028 8.604 0.424 25819 3447 1 9 . 1 1 10 10 VAL N N 10 127.509 127.509 122.717 4.792 25819 3448 1 9 . 1 1 10 10 VAL HA H 10 5.050 5.050 5.006 0.044 25819 3449 1 9 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.573 1.339 25819 3450 1 9 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.151 -0.764 25819 3451 1 9 . 1 1 10 10 VAL H H 10 8.911 8.911 8.472 0.439 25819 3452 1 9 . 1 1 11 11 SER N N 11 121.860 121.860 121.501 0.359 25819 3453 1 9 . 1 1 11 11 SER CB C 11 64.373 64.373 63.072 1.301 25819 3454 1 9 . 1 1 11 11 SER H H 11 9.206 9.206 8.448 0.758 25819 3455 1 9 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.219 0.485 25819 3456 1 9 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.583 -1.684 25819 3457 1 9 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.542 1.547 25819 3458 1 9 . 1 1 13 13 THR N N 13 116.137 116.137 117.576 -1.439 25819 3459 1 9 . 1 1 13 13 THR HA H 13 4.770 4.770 4.386 0.384 25819 3460 1 9 . 1 1 13 13 THR CA C 13 60.153 60.153 61.590 -1.438 25819 3461 1 9 . 1 1 13 13 THR CB C 13 69.426 69.426 70.736 -1.310 25819 3462 1 9 . 1 1 13 13 THR H H 13 8.679 8.679 8.315 0.364 25819 3463 1 9 . 1 1 14 14 ASN N N 14 124.457 124.457 126.142 -1.685 25819 3464 1 9 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.961 -0.266 25819 3465 1 9 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.992 0.136 25819 3466 1 9 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.657 -2.064 25819 3467 1 9 . 1 1 14 14 ASN H H 14 8.710 8.710 8.667 0.043 25819 3468 1 9 . 1 1 15 15 SER N N 15 113.673 113.673 116.074 -2.401 25819 3469 1 9 . 1 1 15 15 SER HA H 15 4.648 4.648 4.594 0.054 25819 3470 1 9 . 1 1 15 15 SER CA C 15 55.644 55.644 56.690 -1.046 25819 3471 1 9 . 1 1 15 15 SER CB C 15 63.953 63.953 64.743 -0.791 25819 3472 1 9 . 1 1 15 15 SER H H 15 9.127 9.127 7.509 1.618 25819 3473 1 9 . 1 1 16 16 THR N N 16 113.579 113.579 115.612 -2.033 25819 3474 1 9 . 1 1 16 16 THR HA H 16 4.976 4.976 4.839 0.137 25819 3475 1 9 . 1 1 16 16 THR CA C 16 58.445 58.445 60.672 -2.227 25819 3476 1 9 . 1 1 16 16 THR CB C 16 70.534 70.534 69.975 0.559 25819 3477 1 9 . 1 1 16 16 THR H H 16 7.962 7.962 8.086 -0.124 25819 3478 1 9 . 1 1 17 17 VAL N N 17 121.479 121.479 124.522 -3.043 25819 3479 1 9 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.556 -0.236 25819 3480 1 9 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.865 -0.928 25819 3481 1 9 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.908 -0.504 25819 3482 1 9 . 1 1 17 17 VAL H H 17 7.969 7.969 8.822 -0.853 25819 3483 1 9 . 1 1 18 18 ALA N N 18 126.014 126.014 127.169 -1.155 25819 3484 1 9 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.414 -0.239 25819 3485 1 9 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.458 -1.495 25819 3486 1 9 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.384 -0.462 25819 3487 1 9 . 1 1 18 18 ALA H H 18 7.756 7.756 8.274 -0.518 25819 3488 1 9 . 1 1 19 19 LYS N N 19 119.741 119.741 121.289 -1.548 25819 3489 1 9 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.050 -0.563 25819 3490 1 9 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.882 -0.110 25819 3491 1 9 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.409 -0.807 25819 3492 1 9 . 1 1 19 19 LYS H H 19 7.892 7.892 8.187 -0.295 25819 3493 1 9 . 1 1 20 20 GLY N N 20 116.709 116.709 112.697 4.012 25819 3494 1 9 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.374 -1.611 25819 3495 1 9 . 1 1 20 20 GLY H H 20 8.615 8.615 8.696 -0.081 25819 3496 1 9 . 1 1 21 21 LEU N N 21 123.004 123.004 123.474 -0.470 25819 3497 1 9 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.579 0.009 25819 3498 1 9 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.459 -1.094 25819 3499 1 9 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.570 -5.608 25819 3500 1 9 . 1 1 21 21 LEU H H 21 8.013 8.013 7.825 0.188 25819 3501 1 9 . 1 1 22 22 GLN N N 22 117.503 117.503 120.094 -2.591 25819 3502 1 9 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.237 -0.109 25819 3503 1 9 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.879 -0.210 25819 3504 1 9 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.745 -0.831 25819 3505 1 9 . 1 1 22 22 GLN H H 22 8.223 8.223 8.237 -0.014 25819 3506 1 9 . 1 1 23 23 GLU N N 23 118.126 118.126 120.771 -2.645 25819 3507 1 9 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.727 -0.164 25819 3508 1 9 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.533 -2.666 25819 3509 1 9 . 1 1 23 23 GLU CB C 23 32.874 32.874 34.243 -1.369 25819 3510 1 9 . 1 1 23 23 GLU H H 23 8.188 8.188 8.719 -0.531 25819 3511 1 9 . 1 1 24 24 ASN N N 24 125.841 125.841 120.757 5.084 25819 3512 1 9 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.239 -0.461 25819 3513 1 9 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.051 -0.540 25819 3514 1 9 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.974 -0.228 25819 3515 1 9 . 1 1 24 24 ASN H H 24 9.390 9.390 8.703 0.688 25819 3516 1 9 . 1 1 25 25 PHE N N 25 122.824 122.824 121.419 1.405 25819 3517 1 9 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.716 -0.065 25819 3518 1 9 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.643 0.480 25819 3519 1 9 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.766 -3.707 25819 3520 1 9 . 1 1 25 25 PHE H H 25 8.061 8.061 8.938 -0.877 25819 3521 1 9 . 1 1 26 26 LYS N N 26 119.114 119.114 120.112 -0.998 25819 3522 1 9 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.624 0.620 25819 3523 1 9 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.635 -2.659 25819 3524 1 9 . 1 1 26 26 LYS CB C 26 34.661 34.661 34.995 -0.334 25819 3525 1 9 . 1 1 26 26 LYS H H 26 9.255 9.255 8.616 0.639 25819 3526 1 9 . 1 1 27 27 ALA N N 27 125.583 125.583 128.438 -2.855 25819 3527 1 9 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.388 -0.126 25819 3528 1 9 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.190 -2.373 25819 3529 1 9 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.116 -0.956 25819 3530 1 9 . 1 1 27 27 ALA H H 27 9.120 9.120 8.436 0.684 25819 3531 1 9 . 1 1 28 28 THR HA H 28 4.837 4.837 4.701 0.136 25819 3532 1 9 . 1 1 28 28 THR CA C 28 60.566 60.566 61.264 -0.698 25819 3533 1 9 . 1 1 28 28 THR CB C 28 69.478 69.478 70.304 -0.826 25819 3534 1 9 . 1 1 28 28 THR H H 28 9.062 9.062 8.328 0.734 25819 3535 1 9 . 1 1 29 29 GLY N N 29 115.789 115.789 114.403 1.386 25819 3536 1 9 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.149 0.167 25819 3537 1 9 . 1 1 29 29 GLY H H 29 9.662 9.662 9.212 0.450 25819 3538 1 9 . 1 1 30 30 ILE N N 30 123.084 123.084 122.819 0.265 25819 3539 1 9 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.646 0.132 25819 3540 1 9 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.982 0.406 25819 3541 1 9 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.857 -3.974 25819 3542 1 9 . 1 1 30 30 ILE H H 30 7.914 7.914 8.596 -0.682 25819 3543 1 9 . 1 1 31 31 PHE N N 31 125.209 125.209 121.223 3.986 25819 3544 1 9 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.018 0.352 25819 3545 1 9 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.595 -0.108 25819 3546 1 9 . 1 1 31 31 PHE CB C 31 41.153 41.153 43.019 -1.866 25819 3547 1 9 . 1 1 31 31 PHE H H 31 8.316 8.316 8.596 -0.280 25819 3548 1 9 . 1 1 32 32 THR N N 32 113.842 113.842 114.943 -1.101 25819 3549 1 9 . 1 1 32 32 THR HA H 32 4.404 4.404 4.217 0.187 25819 3550 1 9 . 1 1 32 32 THR CA C 32 64.157 64.157 65.209 -1.052 25819 3551 1 9 . 1 1 32 32 THR CB C 32 68.540 68.540 68.889 -0.349 25819 3552 1 9 . 1 1 32 32 THR H H 32 9.335 9.335 8.867 0.468 25819 3553 1 9 . 1 1 33 33 ASP N N 33 118.799 118.799 119.590 -0.791 25819 3554 1 9 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.589 0.032 25819 3555 1 9 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.172 -1.209 25819 3556 1 9 . 1 1 33 33 ASP CB C 33 38.494 38.494 39.703 -1.209 25819 3557 1 9 . 1 1 33 33 ASP H H 33 7.689 7.689 8.335 -0.646 25819 3558 1 9 . 1 1 34 34 ASN N N 34 112.993 112.993 114.358 -1.365 25819 3559 1 9 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.327 0.021 25819 3560 1 9 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.788 -0.442 25819 3561 1 9 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.318 0.172 25819 3562 1 9 . 1 1 34 34 ASN H H 34 8.370 8.370 8.058 0.312 25819 3563 1 9 . 1 1 35 35 SER N N 35 115.543 115.543 116.094 -0.551 25819 3564 1 9 . 1 1 35 35 SER HA H 35 4.413 4.413 4.600 -0.187 25819 3565 1 9 . 1 1 35 35 SER CA C 35 57.882 57.882 57.415 0.467 25819 3566 1 9 . 1 1 35 35 SER CB C 35 63.770 63.770 64.077 -0.307 25819 3567 1 9 . 1 1 35 35 SER H H 35 7.990 7.990 8.409 -0.419 25819 3568 1 9 . 1 1 36 36 ASN N N 36 116.051 116.051 125.039 -8.988 25819 3569 1 9 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.360 -2.686 25819 3570 1 9 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.094 1.705 25819 3571 1 9 . 1 1 36 36 ASN H H 36 8.518 8.518 8.664 -0.146 25819 3572 1 9 . 1 1 37 37 SER N N 37 113.191 113.191 116.631 -3.440 25819 3573 1 9 . 1 1 37 37 SER HA H 37 4.715 4.715 4.910 -0.195 25819 3574 1 9 . 1 1 37 37 SER CA C 37 56.801 56.801 56.884 -0.083 25819 3575 1 9 . 1 1 37 37 SER CB C 37 64.872 64.872 66.376 -1.504 25819 3576 1 9 . 1 1 37 37 SER H H 37 8.667 8.667 8.803 -0.136 25819 3577 1 9 . 1 1 38 38 ASP N N 38 123.961 123.961 120.732 3.229 25819 3578 1 9 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.828 0.159 25819 3579 1 9 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.232 0.969 25819 3580 1 9 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.297 -1.368 25819 3581 1 9 . 1 1 38 38 ASP H H 38 8.848 8.848 8.502 0.346 25819 3582 1 9 . 1 1 39 39 ILE N N 39 121.217 121.217 116.221 4.996 25819 3583 1 9 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.834 1.037 25819 3584 1 9 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.935 -2.228 25819 3585 1 9 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.247 1.839 25819 3586 1 9 . 1 1 39 39 ILE H H 39 8.815 8.815 8.299 0.516 25819 3587 1 9 . 1 1 40 40 THR N N 40 122.868 122.868 114.087 8.781 25819 3588 1 9 . 1 1 40 40 THR HA H 40 4.288 4.288 4.180 0.108 25819 3589 1 9 . 1 1 40 40 THR CB C 40 68.527 68.527 69.227 -0.700 25819 3590 1 9 . 1 1 40 40 THR H H 40 8.679 8.679 8.194 0.485 25819 3591 1 9 . 1 1 41 41 ASP N N 41 114.082 114.082 119.381 -5.299 25819 3592 1 9 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.867 -1.169 25819 3593 1 9 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.042 -0.564 25819 3594 1 9 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.714 -1.996 25819 3595 1 9 . 1 1 41 41 ASP H H 41 8.539 8.539 8.452 0.087 25819 3596 1 9 . 1 1 42 42 GLN N N 42 117.086 117.086 116.617 0.469 25819 3597 1 9 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.072 0.079 25819 3598 1 9 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.130 -0.594 25819 3599 1 9 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.964 3.252 25819 3600 1 9 . 1 1 42 42 GLN H H 42 7.718 7.718 7.238 0.480 25819 3601 1 9 . 1 1 43 43 VAL N N 43 109.916 109.916 122.270 -12.354 25819 3602 1 9 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.121 -0.032 25819 3603 1 9 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.620 -4.780 25819 3604 1 9 . 1 1 43 43 VAL CB C 43 31.273 31.273 31.819 -0.546 25819 3605 1 9 . 1 1 43 43 VAL H H 43 6.902 6.902 8.442 -1.540 25819 3606 1 9 . 1 1 44 44 THR N N 44 116.273 116.273 124.101 -7.828 25819 3607 1 9 . 1 1 44 44 THR HA H 44 4.315 4.315 4.324 -0.009 25819 3608 1 9 . 1 1 44 44 THR CA C 44 61.651 61.651 62.977 -1.326 25819 3609 1 9 . 1 1 44 44 THR CB C 44 68.890 68.890 68.871 0.019 25819 3610 1 9 . 1 1 44 44 THR H H 44 8.787 8.787 8.762 0.025 25819 3611 1 9 . 1 1 45 45 TRP N N 45 132.098 132.098 124.447 7.651 25819 3612 1 9 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.147 0.098 25819 3613 1 9 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.543 0.844 25819 3614 1 9 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.558 -0.482 25819 3615 1 9 . 1 1 45 45 TRP H H 45 10.351 10.351 8.091 2.260 25819 3616 1 9 . 1 1 46 46 ASP N N 46 121.897 121.897 122.187 -0.290 25819 3617 1 9 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.007 -0.150 25819 3618 1 9 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.666 -0.869 25819 3619 1 9 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.665 0.410 25819 3620 1 9 . 1 1 46 46 ASP H H 46 9.471 9.471 8.254 1.217 25819 3621 1 9 . 1 1 47 47 SER N N 47 113.803 113.803 119.198 -5.395 25819 3622 1 9 . 1 1 47 47 SER HA H 47 5.043 5.043 5.586 -0.543 25819 3623 1 9 . 1 1 47 47 SER CA C 47 53.059 53.059 56.675 -3.616 25819 3624 1 9 . 1 1 47 47 SER CB C 47 64.880 64.880 66.064 -1.184 25819 3625 1 9 . 1 1 47 47 SER H H 47 8.502 8.502 8.441 0.061 25819 3626 1 9 . 1 1 48 48 SER N N 48 119.614 119.614 119.850 -0.236 25819 3627 1 9 . 1 1 48 48 SER HA H 48 4.264 4.264 4.360 -0.096 25819 3628 1 9 . 1 1 48 48 SER CA C 48 59.404 59.404 60.663 -1.259 25819 3629 1 9 . 1 1 48 48 SER CB C 48 62.026 62.026 63.512 -1.486 25819 3630 1 9 . 1 1 48 48 SER H H 48 8.517 8.517 8.547 -0.030 25819 3631 1 9 . 1 1 49 49 ASN N N 49 118.259 118.259 115.804 2.455 25819 3632 1 9 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.453 0.445 25819 3633 1 9 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.221 -1.380 25819 3634 1 9 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.457 -0.737 25819 3635 1 9 . 1 1 49 49 ASN H H 49 7.816 7.816 7.663 0.153 25819 3636 1 9 . 1 1 50 50 THR N N 50 119.289 119.289 112.925 6.364 25819 3637 1 9 . 1 1 50 50 THR HA H 50 4.541 4.541 4.500 0.041 25819 3638 1 9 . 1 1 50 50 THR CA C 50 62.137 62.137 62.319 -0.182 25819 3639 1 9 . 1 1 50 50 THR CB C 50 67.100 67.100 70.063 -2.963 25819 3640 1 9 . 1 1 50 50 THR H H 50 9.049 9.049 8.261 0.788 25819 3641 1 9 . 1 1 51 51 ASP N N 51 118.825 118.825 120.021 -1.196 25819 3642 1 9 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.824 -0.238 25819 3643 1 9 . 1 1 51 51 ASP CA C 51 54.690 54.690 53.955 0.735 25819 3644 1 9 . 1 1 51 51 ASP CB C 51 39.658 39.658 44.059 -4.402 25819 3645 1 9 . 1 1 51 51 ASP H H 51 8.251 8.251 8.195 0.056 25819 3646 1 9 . 1 1 52 52 ILE N N 52 118.411 118.411 119.352 -0.941 25819 3647 1 9 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.281 -0.356 25819 3648 1 9 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.511 0.170 25819 3649 1 9 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.601 0.295 25819 3650 1 9 . 1 1 52 52 ILE H H 52 7.169 7.169 7.555 -0.386 25819 3651 1 9 . 1 1 53 53 LEU N N 53 120.128 120.128 124.635 -4.507 25819 3652 1 9 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.798 0.223 25819 3653 1 9 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.232 -0.951 25819 3654 1 9 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.518 0.887 25819 3655 1 9 . 1 1 53 53 LEU H H 53 7.876 7.876 8.056 -0.180 25819 3656 1 9 . 1 1 54 54 SER N N 54 122.251 122.251 115.556 6.695 25819 3657 1 9 . 1 1 54 54 SER HA H 54 4.959 4.959 4.830 0.129 25819 3658 1 9 . 1 1 54 54 SER CA C 54 54.724 54.724 56.772 -2.048 25819 3659 1 9 . 1 1 54 54 SER CB C 54 64.417 64.417 66.107 -1.690 25819 3660 1 9 . 1 1 54 54 SER H H 54 8.650 8.650 8.402 0.248 25819 3661 1 9 . 1 1 55 55 ILE N N 55 123.973 123.973 124.299 -0.326 25819 3662 1 9 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.174 0.727 25819 3663 1 9 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.174 -0.306 25819 3664 1 9 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.111 2.307 25819 3665 1 9 . 1 1 55 55 ILE H H 55 9.082 9.082 8.313 0.769 25819 3666 1 9 . 1 1 56 56 SER N N 56 119.539 119.539 121.671 -2.132 25819 3667 1 9 . 1 1 56 56 SER HA H 56 4.387 4.387 3.900 0.487 25819 3668 1 9 . 1 1 56 56 SER CA C 56 56.626 56.626 56.777 -0.151 25819 3669 1 9 . 1 1 56 56 SER CB C 56 63.106 63.106 64.703 -1.597 25819 3670 1 9 . 1 1 56 56 SER H H 56 7.905 7.905 8.120 -0.215 25819 3671 1 9 . 1 1 57 57 ASN N N 57 124.209 124.209 125.058 -0.849 25819 3672 1 9 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.693 0.326 25819 3673 1 9 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.859 -1.390 25819 3674 1 9 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.933 0.157 25819 3675 1 9 . 1 1 57 57 ASN H H 57 8.945 8.945 8.361 0.584 25819 3676 1 9 . 1 1 58 58 ALA N N 58 124.300 124.300 121.622 2.678 25819 3677 1 9 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.456 -0.323 25819 3678 1 9 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.571 -1.284 25819 3679 1 9 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.062 0.292 25819 3680 1 9 . 1 1 58 58 ALA H H 58 8.150 8.150 8.074 0.076 25819 3681 1 9 . 1 1 59 59 SER N N 59 113.299 113.299 113.249 0.050 25819 3682 1 9 . 1 1 59 59 SER HA H 59 4.698 4.698 4.153 0.545 25819 3683 1 9 . 1 1 59 59 SER CA C 59 60.003 60.003 60.556 -0.553 25819 3684 1 9 . 1 1 59 59 SER CB C 59 62.574 62.574 63.191 -0.617 25819 3685 1 9 . 1 1 59 59 SER H H 59 8.377 8.377 8.275 0.102 25819 3686 1 9 . 1 1 60 60 ASP N N 60 116.275 116.275 115.080 1.195 25819 3687 1 9 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.719 -0.057 25819 3688 1 9 . 1 1 60 60 ASP CA C 60 52.759 52.759 55.084 -2.325 25819 3689 1 9 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.917 -2.205 25819 3690 1 9 . 1 1 60 60 ASP H H 60 8.311 8.311 8.065 0.246 25819 3691 1 9 . 1 1 61 61 SER N N 61 112.649 112.649 114.166 -1.517 25819 3692 1 9 . 1 1 61 61 SER HA H 61 4.630 4.630 4.422 0.208 25819 3693 1 9 . 1 1 61 61 SER CA C 61 56.180 56.180 58.932 -2.752 25819 3694 1 9 . 1 1 61 61 SER CB C 61 61.843 61.843 63.203 -1.360 25819 3695 1 9 . 1 1 61 61 SER H H 61 7.588 7.588 8.160 -0.572 25819 3696 1 9 . 1 1 62 62 HIS N N 62 119.790 119.790 120.543 -0.753 25819 3697 1 9 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.618 -0.571 25819 3698 1 9 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.673 1.246 25819 3699 1 9 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.880 -2.356 25819 3700 1 9 . 1 1 62 62 HIS H H 62 8.030 8.030 8.322 -0.292 25819 3701 1 9 . 1 1 63 63 GLY N N 63 113.301 113.301 107.831 5.470 25819 3702 1 9 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.439 -0.786 25819 3703 1 9 . 1 1 63 63 GLY H H 63 8.733 8.733 8.262 0.471 25819 3704 1 9 . 1 1 64 64 LEU N N 64 120.664 120.664 122.174 -1.510 25819 3705 1 9 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.107 -0.721 25819 3706 1 9 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.799 0.094 25819 3707 1 9 . 1 1 64 64 LEU CB C 64 41.463 41.463 47.069 -5.606 25819 3708 1 9 . 1 1 64 64 LEU H H 64 7.679 7.679 8.144 -0.465 25819 3709 1 9 . 1 1 65 65 ALA N N 65 108.347 108.347 123.080 -14.733 25819 3710 1 9 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.594 0.808 25819 3711 1 9 . 1 1 65 65 ALA CA C 65 49.267 49.267 51.095 -1.828 25819 3712 1 9 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.769 -0.214 25819 3713 1 9 . 1 1 65 65 ALA H H 65 9.874 9.874 8.758 1.116 25819 3714 1 9 . 1 1 66 66 SER N N 66 115.951 115.951 119.165 -3.214 25819 3715 1 9 . 1 1 66 66 SER HA H 66 4.909 4.909 5.240 -0.331 25819 3716 1 9 . 1 1 66 66 SER CA C 66 56.645 56.645 56.354 0.291 25819 3717 1 9 . 1 1 66 66 SER CB C 66 63.823 63.823 65.125 -1.302 25819 3718 1 9 . 1 1 66 66 SER H H 66 8.938 8.938 8.681 0.257 25819 3719 1 9 . 1 1 67 67 THR N N 67 113.595 113.595 116.248 -2.653 25819 3720 1 9 . 1 1 67 67 THR HA H 67 4.649 4.649 4.673 -0.024 25819 3721 1 9 . 1 1 67 67 THR CA C 67 59.216 59.216 60.756 -1.540 25819 3722 1 9 . 1 1 67 67 THR CB C 67 69.006 69.006 71.284 -2.278 25819 3723 1 9 . 1 1 67 67 THR H H 67 8.258 8.258 8.297 -0.039 25819 3724 1 9 . 1 1 68 68 LEU N N 68 124.152 124.152 121.800 2.352 25819 3725 1 9 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.688 -0.332 25819 3726 1 9 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.852 0.260 25819 3727 1 9 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.531 0.384 25819 3728 1 9 . 1 1 68 68 LEU H H 68 8.616 8.616 8.231 0.385 25819 3729 1 9 . 1 1 69 69 ASN N N 69 115.821 115.821 115.753 0.068 25819 3730 1 9 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.818 -0.174 25819 3731 1 9 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.259 0.197 25819 3732 1 9 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.591 1.715 25819 3733 1 9 . 1 1 69 69 ASN H H 69 7.965 7.965 7.694 0.271 25819 3734 1 9 . 1 1 70 70 GLN N N 70 114.564 114.564 117.660 -3.096 25819 3735 1 9 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.583 -0.658 25819 3736 1 9 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.999 0.237 25819 3737 1 9 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.637 0.368 25819 3738 1 9 . 1 1 70 70 GLN H H 70 8.287 8.287 8.681 -0.394 25819 3739 1 9 . 1 1 71 71 GLY N N 71 108.006 108.006 108.437 -0.431 25819 3740 1 9 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.172 -1.486 25819 3741 1 9 . 1 1 71 71 GLY H H 71 8.520 8.520 7.762 0.758 25819 3742 1 9 . 1 1 72 72 ASN N N 72 117.784 117.784 120.285 -2.501 25819 3743 1 9 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.129 0.344 25819 3744 1 9 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.359 -0.668 25819 3745 1 9 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.772 -1.876 25819 3746 1 9 . 1 1 72 72 ASN H H 72 8.420 8.420 8.261 0.159 25819 3747 1 9 . 1 1 73 73 VAL N N 73 115.849 115.849 119.946 -4.097 25819 3748 1 9 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.672 -0.141 25819 3749 1 9 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.407 -0.432 25819 3750 1 9 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.977 0.202 25819 3751 1 9 . 1 1 73 73 VAL H H 73 8.990 8.990 9.117 -0.127 25819 3752 1 9 . 1 1 74 74 LYS N N 74 123.196 123.196 125.163 -1.967 25819 3753 1 9 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.860 0.296 25819 3754 1 9 . 1 1 74 74 LYS CA C 74 53.881 53.881 55.009 -1.128 25819 3755 1 9 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.198 -0.601 25819 3756 1 9 . 1 1 74 74 LYS H H 74 8.716 8.716 8.627 0.089 25819 3757 1 9 . 1 1 75 75 VAL N N 75 129.522 129.522 128.550 0.972 25819 3758 1 9 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.883 -0.341 25819 3759 1 9 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.862 -0.046 25819 3760 1 9 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.173 -0.690 25819 3761 1 9 . 1 1 75 75 VAL H H 75 8.975 8.975 8.641 0.334 25819 3762 1 9 . 1 1 76 76 THR N N 76 120.548 120.548 123.423 -2.875 25819 3763 1 9 . 1 1 76 76 THR HA H 76 5.066 5.066 4.825 0.241 25819 3764 1 9 . 1 1 76 76 THR CA C 76 59.783 59.783 60.501 -0.718 25819 3765 1 9 . 1 1 76 76 THR CB C 76 70.733 70.733 70.355 0.379 25819 3766 1 9 . 1 1 76 76 THR H H 76 8.650 8.650 8.623 0.027 25819 3767 1 9 . 1 1 77 77 ALA N N 77 126.454 126.454 128.394 -1.940 25819 3768 1 9 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.673 -1.293 25819 3769 1 9 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.071 -1.641 25819 3770 1 9 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.334 -1.790 25819 3771 1 9 . 1 1 77 77 ALA H H 77 8.674 8.674 8.188 0.486 25819 3772 1 9 . 1 1 78 78 SER N N 78 113.568 113.568 117.504 -3.936 25819 3773 1 9 . 1 1 78 78 SER HA H 78 5.376 5.376 4.916 0.460 25819 3774 1 9 . 1 1 78 78 SER CA C 78 56.077 56.077 57.326 -1.249 25819 3775 1 9 . 1 1 78 78 SER CB C 78 65.730 65.730 66.187 -0.457 25819 3776 1 9 . 1 1 78 78 SER H H 78 8.117 8.117 8.394 -0.277 25819 3777 1 9 . 1 1 79 79 ILE N N 79 121.071 121.071 123.823 -2.752 25819 3778 1 9 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.524 -0.383 25819 3779 1 9 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.560 0.564 25819 3780 1 9 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.414 -2.605 25819 3781 1 9 . 1 1 79 79 ILE H H 79 8.446 8.446 7.851 0.595 25819 3782 1 9 . 1 1 80 80 GLY N N 80 117.157 117.157 116.116 1.041 25819 3783 1 9 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.518 -0.512 25819 3784 1 9 . 1 1 80 80 GLY H H 80 8.899 8.899 8.894 0.005 25819 3785 1 9 . 1 1 81 81 GLY N N 81 110.715 110.715 110.489 0.226 25819 3786 1 9 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.958 -0.580 25819 3787 1 9 . 1 1 81 81 GLY H H 81 8.742 8.742 8.109 0.633 25819 3788 1 9 . 1 1 82 82 ILE N N 82 124.113 124.113 122.112 2.001 25819 3789 1 9 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.301 -0.101 25819 3790 1 9 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.856 -0.823 25819 3791 1 9 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.651 -1.875 25819 3792 1 9 . 1 1 82 82 ILE H H 82 8.188 8.188 8.046 0.142 25819 3793 1 9 . 1 1 83 83 GLN N N 83 122.455 122.455 121.678 0.777 25819 3794 1 9 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.674 0.721 25819 3795 1 9 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.272 -1.252 25819 3796 1 9 . 1 1 83 83 GLN CB C 83 32.515 32.515 33.026 -0.512 25819 3797 1 9 . 1 1 83 83 GLN H H 83 8.423 8.423 8.235 0.188 25819 3798 1 9 . 1 1 84 84 GLY N N 84 111.437 111.437 107.397 4.040 25819 3799 1 9 . 1 1 84 84 GLY H H 84 8.931 8.931 8.801 0.130 25819 3800 1 9 . 1 1 85 85 SER N N 85 113.878 113.878 113.730 0.148 25819 3801 1 9 . 1 1 85 85 SER HA H 85 5.841 5.841 5.239 0.602 25819 3802 1 9 . 1 1 85 85 SER CA C 85 56.264 56.264 57.142 -0.879 25819 3803 1 9 . 1 1 85 85 SER CB C 85 66.946 66.946 66.650 0.296 25819 3804 1 9 . 1 1 85 85 SER H H 85 8.710 8.710 8.319 0.391 25819 3805 1 9 . 1 1 86 86 THR N N 86 115.389 115.389 115.125 0.264 25819 3806 1 9 . 1 1 86 86 THR HA H 86 4.772 4.772 4.664 0.108 25819 3807 1 9 . 1 1 86 86 THR CA C 86 60.313 60.313 61.657 -1.344 25819 3808 1 9 . 1 1 86 86 THR CB C 86 69.852 69.852 71.808 -1.956 25819 3809 1 9 . 1 1 86 86 THR H H 86 8.854 8.854 8.545 0.309 25819 3810 1 9 . 1 1 87 87 ASP N N 87 124.623 124.623 121.846 2.777 25819 3811 1 9 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.897 0.539 25819 3812 1 9 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.299 0.497 25819 3813 1 9 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.974 -0.964 25819 3814 1 9 . 1 1 87 87 ASP H H 87 7.953 7.953 8.432 -0.479 25819 3815 1 9 . 1 1 88 88 PHE N N 88 123.574 123.574 124.005 -0.431 25819 3816 1 9 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.663 -0.732 25819 3817 1 9 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.282 0.686 25819 3818 1 9 . 1 1 88 88 PHE CB C 88 42.884 42.884 44.023 -1.139 25819 3819 1 9 . 1 1 88 88 PHE H H 88 9.094 9.094 9.198 -0.104 25819 3820 1 9 . 1 1 89 89 LYS N N 89 126.965 126.965 123.944 3.021 25819 3821 1 9 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.822 0.216 25819 3822 1 9 . 1 1 89 89 LYS CA C 89 53.889 53.889 54.827 -0.938 25819 3823 1 9 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.226 0.443 25819 3824 1 9 . 1 1 89 89 LYS H H 89 7.269 7.269 8.506 -1.237 25819 3825 1 9 . 1 1 90 90 VAL N N 90 126.148 126.148 127.492 -1.344 25819 3826 1 9 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.142 -0.131 25819 3827 1 9 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.171 -1.624 25819 3828 1 9 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.601 -1.653 25819 3829 1 9 . 1 1 90 90 VAL H H 90 9.086 9.086 8.449 0.637 25819 3830 1 9 . 1 1 91 91 THR N N 91 120.505 120.505 121.948 -1.443 25819 3831 1 9 . 1 1 91 91 THR HA H 91 4.568 4.568 4.741 -0.173 25819 3832 1 9 . 1 1 91 91 THR CA C 91 59.348 59.348 60.013 -0.665 25819 3833 1 9 . 1 1 91 91 THR CB C 91 68.970 68.970 71.150 -2.180 25819 3834 1 9 . 1 1 91 91 THR H H 91 8.757 8.757 8.188 0.569 25819 3835 1 10 . 1 1 2 2 PRO HA H 2 4.277 4.277 5.042 -0.765 25819 3836 1 10 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.838 -1.617 25819 3837 1 10 . 1 1 2 2 PRO CB C 2 31.416 31.416 33.001 -1.585 25819 3838 1 10 . 1 1 3 3 ALA N N 3 123.804 123.804 122.998 0.806 25819 3839 1 10 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.503 -0.297 25819 3840 1 10 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.386 0.009 25819 3841 1 10 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.775 -1.935 25819 3842 1 10 . 1 1 3 3 ALA H H 3 8.647 8.647 8.135 0.512 25819 3843 1 10 . 1 1 4 4 ALA N N 4 124.058 124.058 122.316 1.742 25819 3844 1 10 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.762 -0.053 25819 3845 1 10 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.195 -1.173 25819 3846 1 10 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.739 -0.842 25819 3847 1 10 . 1 1 4 4 ALA H H 4 8.239 8.239 8.436 -0.197 25819 3848 1 10 . 1 1 5 5 LEU N N 5 124.018 124.018 122.539 1.479 25819 3849 1 10 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.004 -0.632 25819 3850 1 10 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.532 -1.524 25819 3851 1 10 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.165 -0.923 25819 3852 1 10 . 1 1 5 5 LEU H H 5 8.560 8.560 8.617 -0.057 25819 3853 1 10 . 1 1 6 6 VAL N N 6 123.357 123.357 118.580 4.777 25819 3854 1 10 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.188 -0.091 25819 3855 1 10 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.750 -0.410 25819 3856 1 10 . 1 1 6 6 VAL CB C 6 32.948 32.948 34.114 -1.166 25819 3857 1 10 . 1 1 6 6 VAL H H 6 9.119 9.119 8.004 1.115 25819 3858 1 10 . 1 1 7 7 SER N N 7 112.137 112.137 113.968 -1.831 25819 3859 1 10 . 1 1 7 7 SER HA H 7 4.445 4.445 4.861 -0.416 25819 3860 1 10 . 1 1 7 7 SER CA C 7 56.349 56.349 57.866 -1.517 25819 3861 1 10 . 1 1 7 7 SER CB C 7 64.361 64.361 66.576 -2.215 25819 3862 1 10 . 1 1 7 7 SER H H 7 7.680 7.680 7.701 -0.021 25819 3863 1 10 . 1 1 8 8 ILE N N 8 118.674 118.674 115.811 2.863 25819 3864 1 10 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.060 -0.387 25819 3865 1 10 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.590 -0.444 25819 3866 1 10 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.637 -0.963 25819 3867 1 10 . 1 1 8 8 ILE H H 8 8.354 8.354 8.197 0.157 25819 3868 1 10 . 1 1 9 9 SER N N 9 121.319 121.319 119.690 1.629 25819 3869 1 10 . 1 1 9 9 SER HA H 9 4.863 4.863 4.846 0.017 25819 3870 1 10 . 1 1 9 9 SER CA C 9 55.381 55.381 57.213 -1.832 25819 3871 1 10 . 1 1 9 9 SER CB C 9 64.243 64.243 63.139 1.105 25819 3872 1 10 . 1 1 9 9 SER H H 9 9.028 9.028 8.756 0.272 25819 3873 1 10 . 1 1 10 10 VAL N N 10 127.509 127.509 121.740 5.769 25819 3874 1 10 . 1 1 10 10 VAL HA H 10 5.050 5.050 5.019 0.031 25819 3875 1 10 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.562 1.350 25819 3876 1 10 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.686 -1.299 25819 3877 1 10 . 1 1 10 10 VAL H H 10 8.911 8.911 8.332 0.579 25819 3878 1 10 . 1 1 11 11 SER N N 11 121.860 121.860 121.280 0.580 25819 3879 1 10 . 1 1 11 11 SER CB C 11 64.373 64.373 63.222 1.151 25819 3880 1 10 . 1 1 11 11 SER H H 11 9.206 9.206 8.721 0.485 25819 3881 1 10 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.669 0.035 25819 3882 1 10 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.791 -1.892 25819 3883 1 10 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.359 1.730 25819 3884 1 10 . 1 1 13 13 THR N N 13 116.137 116.137 118.461 -2.324 25819 3885 1 10 . 1 1 13 13 THR HA H 13 4.770 4.770 4.493 0.277 25819 3886 1 10 . 1 1 13 13 THR CA C 13 60.153 60.153 61.411 -1.258 25819 3887 1 10 . 1 1 13 13 THR CB C 13 69.426 69.426 70.123 -0.697 25819 3888 1 10 . 1 1 13 13 THR H H 13 8.679 8.679 8.352 0.327 25819 3889 1 10 . 1 1 14 14 ASN N N 14 124.457 124.457 124.031 0.426 25819 3890 1 10 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.821 -0.126 25819 3891 1 10 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.179 0.949 25819 3892 1 10 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.067 -1.474 25819 3893 1 10 . 1 1 14 14 ASN H H 14 8.710 8.710 8.749 -0.039 25819 3894 1 10 . 1 1 15 15 SER N N 15 113.673 113.673 115.939 -2.266 25819 3895 1 10 . 1 1 15 15 SER HA H 15 4.648 4.648 4.667 -0.019 25819 3896 1 10 . 1 1 15 15 SER CA C 15 55.644 55.644 57.075 -1.431 25819 3897 1 10 . 1 1 15 15 SER CB C 15 63.953 63.953 65.362 -1.409 25819 3898 1 10 . 1 1 15 15 SER H H 15 9.127 9.127 7.541 1.586 25819 3899 1 10 . 1 1 16 16 THR N N 16 113.579 113.579 115.499 -1.920 25819 3900 1 10 . 1 1 16 16 THR HA H 16 4.976 4.976 4.952 0.024 25819 3901 1 10 . 1 1 16 16 THR CA C 16 58.445 58.445 60.376 -1.931 25819 3902 1 10 . 1 1 16 16 THR CB C 16 70.534 70.534 70.466 0.068 25819 3903 1 10 . 1 1 16 16 THR H H 16 7.962 7.962 8.315 -0.353 25819 3904 1 10 . 1 1 17 17 VAL N N 17 121.479 121.479 123.133 -1.654 25819 3905 1 10 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.510 -0.190 25819 3906 1 10 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.665 -0.728 25819 3907 1 10 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.508 -0.104 25819 3908 1 10 . 1 1 17 17 VAL H H 17 7.969 7.969 8.921 -0.952 25819 3909 1 10 . 1 1 18 18 ALA N N 18 126.014 126.014 127.433 -1.419 25819 3910 1 10 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.293 -0.118 25819 3911 1 10 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.170 -1.207 25819 3912 1 10 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.479 -0.557 25819 3913 1 10 . 1 1 18 18 ALA H H 18 7.756 7.756 8.286 -0.530 25819 3914 1 10 . 1 1 19 19 LYS N N 19 119.741 119.741 121.343 -1.602 25819 3915 1 10 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.029 -0.542 25819 3916 1 10 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.502 0.270 25819 3917 1 10 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.451 -0.849 25819 3918 1 10 . 1 1 19 19 LYS H H 19 7.892 7.892 8.139 -0.247 25819 3919 1 10 . 1 1 20 20 GLY N N 20 116.709 116.709 113.759 2.950 25819 3920 1 10 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.568 -1.805 25819 3921 1 10 . 1 1 20 20 GLY H H 20 8.615 8.615 8.747 -0.132 25819 3922 1 10 . 1 1 21 21 LEU N N 21 123.004 123.004 123.606 -0.602 25819 3923 1 10 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.555 0.033 25819 3924 1 10 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.609 -1.244 25819 3925 1 10 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.917 -4.955 25819 3926 1 10 . 1 1 21 21 LEU H H 21 8.013 8.013 7.763 0.250 25819 3927 1 10 . 1 1 22 22 GLN N N 22 117.503 117.503 119.718 -2.215 25819 3928 1 10 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.150 -0.022 25819 3929 1 10 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.880 -0.211 25819 3930 1 10 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.706 -0.792 25819 3931 1 10 . 1 1 22 22 GLN H H 22 8.223 8.223 8.293 -0.070 25819 3932 1 10 . 1 1 23 23 GLU N N 23 118.126 118.126 121.196 -3.070 25819 3933 1 10 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.576 -0.013 25819 3934 1 10 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.680 -1.813 25819 3935 1 10 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.181 -0.307 25819 3936 1 10 . 1 1 23 23 GLU H H 23 8.188 8.188 8.575 -0.387 25819 3937 1 10 . 1 1 24 24 ASN N N 24 125.841 125.841 123.410 2.431 25819 3938 1 10 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.783 -0.005 25819 3939 1 10 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.445 -0.934 25819 3940 1 10 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.263 0.483 25819 3941 1 10 . 1 1 24 24 ASN H H 24 9.390 9.390 8.572 0.818 25819 3942 1 10 . 1 1 25 25 PHE N N 25 122.824 122.824 124.171 -1.347 25819 3943 1 10 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.894 -0.243 25819 3944 1 10 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.296 -0.173 25819 3945 1 10 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.961 -3.901 25819 3946 1 10 . 1 1 25 25 PHE H H 25 8.061 8.061 8.867 -0.806 25819 3947 1 10 . 1 1 26 26 LYS N N 26 119.114 119.114 124.757 -5.643 25819 3948 1 10 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.201 1.043 25819 3949 1 10 . 1 1 26 26 LYS CA C 26 52.976 52.976 54.114 -1.139 25819 3950 1 10 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.040 -0.379 25819 3951 1 10 . 1 1 26 26 LYS H H 26 9.255 9.255 7.801 1.454 25819 3952 1 10 . 1 1 27 27 ALA N N 27 125.583 125.583 128.093 -2.510 25819 3953 1 10 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.190 0.072 25819 3954 1 10 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.913 -2.096 25819 3955 1 10 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.614 -0.454 25819 3956 1 10 . 1 1 27 27 ALA H H 27 9.120 9.120 8.223 0.897 25819 3957 1 10 . 1 1 28 28 THR HA H 28 4.837 4.837 4.621 0.216 25819 3958 1 10 . 1 1 28 28 THR CA C 28 60.566 60.566 61.081 -0.515 25819 3959 1 10 . 1 1 28 28 THR CB C 28 69.478 69.478 70.939 -1.462 25819 3960 1 10 . 1 1 28 28 THR H H 28 9.062 9.062 8.414 0.648 25819 3961 1 10 . 1 1 29 29 GLY N N 29 115.789 115.789 113.927 1.862 25819 3962 1 10 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.776 0.540 25819 3963 1 10 . 1 1 29 29 GLY H H 29 9.662 9.662 9.115 0.547 25819 3964 1 10 . 1 1 30 30 ILE N N 30 123.084 123.084 122.717 0.367 25819 3965 1 10 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.695 0.083 25819 3966 1 10 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.814 0.574 25819 3967 1 10 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.028 -4.145 25819 3968 1 10 . 1 1 30 30 ILE H H 30 7.914 7.914 8.558 -0.644 25819 3969 1 10 . 1 1 31 31 PHE N N 31 125.209 125.209 122.091 3.118 25819 3970 1 10 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.988 0.382 25819 3971 1 10 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.570 -0.083 25819 3972 1 10 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.431 -1.278 25819 3973 1 10 . 1 1 31 31 PHE H H 31 8.316 8.316 8.688 -0.372 25819 3974 1 10 . 1 1 32 32 THR N N 32 113.842 113.842 116.472 -2.630 25819 3975 1 10 . 1 1 32 32 THR HA H 32 4.404 4.404 4.110 0.294 25819 3976 1 10 . 1 1 32 32 THR CA C 32 64.157 64.157 65.184 -1.027 25819 3977 1 10 . 1 1 32 32 THR CB C 32 68.540 68.540 68.770 -0.230 25819 3978 1 10 . 1 1 32 32 THR H H 32 9.335 9.335 8.764 0.571 25819 3979 1 10 . 1 1 33 33 ASP N N 33 118.799 118.799 119.872 -1.073 25819 3980 1 10 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.698 -0.077 25819 3981 1 10 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.799 -1.836 25819 3982 1 10 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.165 -1.671 25819 3983 1 10 . 1 1 33 33 ASP H H 33 7.689 7.689 8.381 -0.692 25819 3984 1 10 . 1 1 34 34 ASN N N 34 112.993 112.993 113.896 -0.903 25819 3985 1 10 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.373 -0.025 25819 3986 1 10 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.495 -0.149 25819 3987 1 10 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.727 -0.237 25819 3988 1 10 . 1 1 34 34 ASN H H 34 8.370 8.370 7.974 0.396 25819 3989 1 10 . 1 1 35 35 SER N N 35 115.543 115.543 114.833 0.710 25819 3990 1 10 . 1 1 35 35 SER HA H 35 4.413 4.413 4.671 -0.258 25819 3991 1 10 . 1 1 35 35 SER CA C 35 57.882 57.882 57.230 0.652 25819 3992 1 10 . 1 1 35 35 SER CB C 35 63.770 63.770 64.098 -0.328 25819 3993 1 10 . 1 1 35 35 SER H H 35 7.990 7.990 7.998 -0.008 25819 3994 1 10 . 1 1 36 36 ASN N N 36 116.051 116.051 125.021 -8.970 25819 3995 1 10 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.320 -2.646 25819 3996 1 10 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.844 1.955 25819 3997 1 10 . 1 1 36 36 ASN H H 36 8.518 8.518 8.648 -0.130 25819 3998 1 10 . 1 1 37 37 SER N N 37 113.191 113.191 117.139 -3.948 25819 3999 1 10 . 1 1 37 37 SER HA H 37 4.715 4.715 4.715 0.000 25819 4000 1 10 . 1 1 37 37 SER CA C 37 56.801 56.801 57.200 -0.400 25819 4001 1 10 . 1 1 37 37 SER CB C 37 64.872 64.872 66.710 -1.839 25819 4002 1 10 . 1 1 37 37 SER H H 37 8.667 8.667 8.944 -0.277 25819 4003 1 10 . 1 1 38 38 ASP N N 38 123.961 123.961 122.170 1.791 25819 4004 1 10 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.742 0.245 25819 4005 1 10 . 1 1 38 38 ASP CA C 38 54.201 54.201 52.959 1.242 25819 4006 1 10 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.119 -1.190 25819 4007 1 10 . 1 1 38 38 ASP H H 38 8.848 8.848 8.494 0.354 25819 4008 1 10 . 1 1 39 39 ILE N N 39 121.217 121.217 116.125 5.092 25819 4009 1 10 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.777 1.094 25819 4010 1 10 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.846 -2.139 25819 4011 1 10 . 1 1 39 39 ILE CB C 39 37.086 37.086 34.954 2.132 25819 4012 1 10 . 1 1 39 39 ILE H H 39 8.815 8.815 8.387 0.428 25819 4013 1 10 . 1 1 40 40 THR N N 40 122.868 122.868 114.739 8.129 25819 4014 1 10 . 1 1 40 40 THR HA H 40 4.288 4.288 4.096 0.192 25819 4015 1 10 . 1 1 40 40 THR CB C 40 68.527 68.527 68.990 -0.463 25819 4016 1 10 . 1 1 40 40 THR H H 40 8.679 8.679 8.325 0.354 25819 4017 1 10 . 1 1 41 41 ASP N N 41 114.082 114.082 119.166 -5.084 25819 4018 1 10 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.817 -1.119 25819 4019 1 10 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.267 -0.789 25819 4020 1 10 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.719 -2.001 25819 4021 1 10 . 1 1 41 41 ASP H H 41 8.539 8.539 8.522 0.017 25819 4022 1 10 . 1 1 42 42 GLN N N 42 117.086 117.086 117.570 -0.484 25819 4023 1 10 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.069 0.082 25819 4024 1 10 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.157 -0.621 25819 4025 1 10 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.239 2.977 25819 4026 1 10 . 1 1 42 42 GLN H H 42 7.718 7.718 7.258 0.460 25819 4027 1 10 . 1 1 43 43 VAL N N 43 109.916 109.916 123.213 -13.297 25819 4028 1 10 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.073 0.016 25819 4029 1 10 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.609 -4.769 25819 4030 1 10 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.188 -0.915 25819 4031 1 10 . 1 1 43 43 VAL H H 43 6.902 6.902 8.477 -1.575 25819 4032 1 10 . 1 1 44 44 THR N N 44 116.273 116.273 123.856 -7.583 25819 4033 1 10 . 1 1 44 44 THR HA H 44 4.315 4.315 4.311 0.004 25819 4034 1 10 . 1 1 44 44 THR CA C 44 61.651 61.651 62.655 -1.004 25819 4035 1 10 . 1 1 44 44 THR CB C 44 68.890 68.890 68.990 -0.100 25819 4036 1 10 . 1 1 44 44 THR H H 44 8.787 8.787 8.799 -0.012 25819 4037 1 10 . 1 1 45 45 TRP N N 45 132.098 132.098 125.662 6.436 25819 4038 1 10 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.361 -0.116 25819 4039 1 10 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.978 0.409 25819 4040 1 10 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.407 -0.330 25819 4041 1 10 . 1 1 45 45 TRP H H 45 10.351 10.351 8.007 2.344 25819 4042 1 10 . 1 1 46 46 ASP N N 46 121.897 121.897 122.531 -0.634 25819 4043 1 10 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.016 -0.159 25819 4044 1 10 . 1 1 46 46 ASP CA C 46 52.797 52.797 54.083 -1.286 25819 4045 1 10 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.633 -0.558 25819 4046 1 10 . 1 1 46 46 ASP H H 46 9.471 9.471 8.154 1.317 25819 4047 1 10 . 1 1 47 47 SER N N 47 113.803 113.803 117.688 -3.885 25819 4048 1 10 . 1 1 47 47 SER HA H 47 5.043 5.043 5.374 -0.331 25819 4049 1 10 . 1 1 47 47 SER CA C 47 53.059 53.059 55.819 -2.760 25819 4050 1 10 . 1 1 47 47 SER CB C 47 64.880 64.880 65.239 -0.359 25819 4051 1 10 . 1 1 47 47 SER H H 47 8.502 8.502 8.524 -0.022 25819 4052 1 10 . 1 1 48 48 SER N N 48 119.614 119.614 119.931 -0.317 25819 4053 1 10 . 1 1 48 48 SER HA H 48 4.264 4.264 4.378 -0.114 25819 4054 1 10 . 1 1 48 48 SER CA C 48 59.404 59.404 59.747 -0.343 25819 4055 1 10 . 1 1 48 48 SER CB C 48 62.026 62.026 63.689 -1.663 25819 4056 1 10 . 1 1 48 48 SER H H 48 8.517 8.517 8.696 -0.179 25819 4057 1 10 . 1 1 49 49 ASN N N 49 118.259 118.259 118.268 -0.009 25819 4058 1 10 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.541 0.357 25819 4059 1 10 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.107 -1.266 25819 4060 1 10 . 1 1 49 49 ASN CB C 49 37.720 37.720 37.699 0.021 25819 4061 1 10 . 1 1 49 49 ASN H H 49 7.816 7.816 8.224 -0.408 25819 4062 1 10 . 1 1 50 50 THR N N 50 119.289 119.289 115.171 4.118 25819 4063 1 10 . 1 1 50 50 THR HA H 50 4.541 4.541 4.267 0.274 25819 4064 1 10 . 1 1 50 50 THR CA C 50 62.137 62.137 65.727 -3.590 25819 4065 1 10 . 1 1 50 50 THR CB C 50 67.100 67.100 69.330 -2.230 25819 4066 1 10 . 1 1 50 50 THR H H 50 9.049 9.049 8.521 0.528 25819 4067 1 10 . 1 1 51 51 ASP N N 51 118.825 118.825 117.298 1.527 25819 4068 1 10 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.770 -0.184 25819 4069 1 10 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.552 0.138 25819 4070 1 10 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.619 -2.961 25819 4071 1 10 . 1 1 51 51 ASP H H 51 8.251 8.251 8.085 0.166 25819 4072 1 10 . 1 1 52 52 ILE N N 52 118.411 118.411 120.748 -2.337 25819 4073 1 10 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.332 -0.407 25819 4074 1 10 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.274 0.407 25819 4075 1 10 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.550 -0.654 25819 4076 1 10 . 1 1 52 52 ILE H H 52 7.169 7.169 7.777 -0.608 25819 4077 1 10 . 1 1 53 53 LEU N N 53 120.128 120.128 124.681 -4.553 25819 4078 1 10 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.798 0.223 25819 4079 1 10 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.680 -0.399 25819 4080 1 10 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.966 0.439 25819 4081 1 10 . 1 1 53 53 LEU H H 53 7.876 7.876 8.005 -0.129 25819 4082 1 10 . 1 1 54 54 SER N N 54 122.251 122.251 116.658 5.593 25819 4083 1 10 . 1 1 54 54 SER HA H 54 4.959 4.959 4.803 0.156 25819 4084 1 10 . 1 1 54 54 SER CA C 54 54.724 54.724 57.231 -2.507 25819 4085 1 10 . 1 1 54 54 SER CB C 54 64.417 64.417 65.977 -1.560 25819 4086 1 10 . 1 1 54 54 SER H H 54 8.650 8.650 8.671 -0.021 25819 4087 1 10 . 1 1 55 55 ILE N N 55 123.973 123.973 122.600 1.373 25819 4088 1 10 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.282 0.619 25819 4089 1 10 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.214 -0.346 25819 4090 1 10 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.282 2.135 25819 4091 1 10 . 1 1 55 55 ILE H H 55 9.082 9.082 8.396 0.686 25819 4092 1 10 . 1 1 56 56 SER N N 56 119.539 119.539 121.007 -1.468 25819 4093 1 10 . 1 1 56 56 SER HA H 56 4.387 4.387 3.914 0.473 25819 4094 1 10 . 1 1 56 56 SER CA C 56 56.626 56.626 56.660 -0.034 25819 4095 1 10 . 1 1 56 56 SER CB C 56 63.106 63.106 65.082 -1.976 25819 4096 1 10 . 1 1 56 56 SER H H 56 7.905 7.905 7.999 -0.094 25819 4097 1 10 . 1 1 57 57 ASN N N 57 124.209 124.209 123.864 0.345 25819 4098 1 10 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.950 0.069 25819 4099 1 10 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.494 -1.025 25819 4100 1 10 . 1 1 57 57 ASN CB C 57 40.090 40.090 40.184 -0.094 25819 4101 1 10 . 1 1 57 57 ASN H H 57 8.945 8.945 8.703 0.242 25819 4102 1 10 . 1 1 58 58 ALA N N 58 124.300 124.300 119.371 4.929 25819 4103 1 10 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.570 -0.437 25819 4104 1 10 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.060 -0.773 25819 4105 1 10 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.924 -1.570 25819 4106 1 10 . 1 1 58 58 ALA H H 58 8.150 8.150 7.548 0.602 25819 4107 1 10 . 1 1 59 59 SER N N 59 113.299 113.299 115.343 -2.044 25819 4108 1 10 . 1 1 59 59 SER HA H 59 4.698 4.698 4.180 0.518 25819 4109 1 10 . 1 1 59 59 SER CA C 59 60.003 60.003 60.328 -0.325 25819 4110 1 10 . 1 1 59 59 SER CB C 59 62.574 62.574 63.245 -0.671 25819 4111 1 10 . 1 1 59 59 SER H H 59 8.377 8.377 8.550 -0.173 25819 4112 1 10 . 1 1 60 60 ASP N N 60 116.275 116.275 116.272 0.003 25819 4113 1 10 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.762 -0.100 25819 4114 1 10 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.746 -1.987 25819 4115 1 10 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.527 -1.815 25819 4116 1 10 . 1 1 60 60 ASP H H 60 8.311 8.311 8.534 -0.223 25819 4117 1 10 . 1 1 61 61 SER N N 61 112.649 112.649 112.775 -0.126 25819 4118 1 10 . 1 1 61 61 SER HA H 61 4.630 4.630 4.418 0.212 25819 4119 1 10 . 1 1 61 61 SER CA C 61 56.180 56.180 58.466 -2.286 25819 4120 1 10 . 1 1 61 61 SER CB C 61 61.843 61.843 63.367 -1.524 25819 4121 1 10 . 1 1 61 61 SER H H 61 7.588 7.588 7.720 -0.132 25819 4122 1 10 . 1 1 62 62 HIS N N 62 119.790 119.790 124.428 -4.638 25819 4123 1 10 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.659 -0.612 25819 4124 1 10 . 1 1 62 62 HIS CA C 62 56.919 56.919 57.810 -0.891 25819 4125 1 10 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.664 -3.140 25819 4126 1 10 . 1 1 62 62 HIS H H 62 8.030 8.030 8.121 -0.091 25819 4127 1 10 . 1 1 63 63 GLY N N 63 113.301 113.301 107.934 5.367 25819 4128 1 10 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.561 -0.908 25819 4129 1 10 . 1 1 63 63 GLY H H 63 8.733 8.733 8.083 0.650 25819 4130 1 10 . 1 1 64 64 LEU N N 64 120.664 120.664 115.222 5.442 25819 4131 1 10 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.150 -0.764 25819 4132 1 10 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.649 0.244 25819 4133 1 10 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.352 -3.889 25819 4134 1 10 . 1 1 64 64 LEU H H 64 7.679 7.679 8.926 -1.247 25819 4135 1 10 . 1 1 65 65 ALA N N 65 108.347 108.347 120.531 -12.184 25819 4136 1 10 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.660 0.742 25819 4137 1 10 . 1 1 65 65 ALA CA C 65 49.267 49.267 51.475 -2.208 25819 4138 1 10 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.715 -0.160 25819 4139 1 10 . 1 1 65 65 ALA H H 65 9.874 9.874 8.417 1.457 25819 4140 1 10 . 1 1 66 66 SER N N 66 115.951 115.951 118.844 -2.893 25819 4141 1 10 . 1 1 66 66 SER HA H 66 4.909 4.909 5.029 -0.120 25819 4142 1 10 . 1 1 66 66 SER CA C 66 56.645 56.645 55.983 0.662 25819 4143 1 10 . 1 1 66 66 SER CB C 66 63.823 63.823 65.828 -2.005 25819 4144 1 10 . 1 1 66 66 SER H H 66 8.938 8.938 8.643 0.295 25819 4145 1 10 . 1 1 67 67 THR N N 67 113.595 113.595 116.673 -3.078 25819 4146 1 10 . 1 1 67 67 THR HA H 67 4.649 4.649 4.666 -0.017 25819 4147 1 10 . 1 1 67 67 THR CA C 67 59.216 59.216 61.002 -1.786 25819 4148 1 10 . 1 1 67 67 THR CB C 67 69.006 69.006 71.413 -2.407 25819 4149 1 10 . 1 1 67 67 THR H H 67 8.258 8.258 8.264 -0.006 25819 4150 1 10 . 1 1 68 68 LEU N N 68 124.152 124.152 122.312 1.840 25819 4151 1 10 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.612 -0.256 25819 4152 1 10 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.017 0.095 25819 4153 1 10 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.755 1.160 25819 4154 1 10 . 1 1 68 68 LEU H H 68 8.616 8.616 8.770 -0.154 25819 4155 1 10 . 1 1 69 69 ASN N N 69 115.821 115.821 115.770 0.051 25819 4156 1 10 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.844 -0.200 25819 4157 1 10 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.316 0.141 25819 4158 1 10 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.944 1.361 25819 4159 1 10 . 1 1 69 69 ASN H H 69 7.965 7.965 7.738 0.227 25819 4160 1 10 . 1 1 70 70 GLN N N 70 114.564 114.564 116.917 -2.353 25819 4161 1 10 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.653 -0.728 25819 4162 1 10 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.000 0.237 25819 4163 1 10 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.552 0.454 25819 4164 1 10 . 1 1 70 70 GLN H H 70 8.287 8.287 8.598 -0.311 25819 4165 1 10 . 1 1 71 71 GLY N N 71 108.006 108.006 108.438 -0.432 25819 4166 1 10 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.828 -1.142 25819 4167 1 10 . 1 1 71 71 GLY H H 71 8.520 8.520 7.900 0.620 25819 4168 1 10 . 1 1 72 72 ASN N N 72 117.784 117.784 117.596 0.188 25819 4169 1 10 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.967 0.506 25819 4170 1 10 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.470 -0.779 25819 4171 1 10 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.202 -1.306 25819 4172 1 10 . 1 1 72 72 ASN H H 72 8.420 8.420 8.366 0.054 25819 4173 1 10 . 1 1 73 73 VAL N N 73 115.849 115.849 121.379 -5.530 25819 4174 1 10 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.465 0.066 25819 4175 1 10 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.565 -0.590 25819 4176 1 10 . 1 1 73 73 VAL CB C 73 35.179 35.179 36.331 -1.152 25819 4177 1 10 . 1 1 73 73 VAL H H 73 8.990 8.990 8.539 0.451 25819 4178 1 10 . 1 1 74 74 LYS N N 74 123.196 123.196 124.803 -1.607 25819 4179 1 10 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.625 0.531 25819 4180 1 10 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.962 -1.081 25819 4181 1 10 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.635 -0.038 25819 4182 1 10 . 1 1 74 74 LYS H H 74 8.716 8.716 8.477 0.239 25819 4183 1 10 . 1 1 75 75 VAL N N 75 129.522 129.522 128.451 1.071 25819 4184 1 10 . 1 1 75 75 VAL HA H 75 4.542 4.542 5.138 -0.596 25819 4185 1 10 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.703 0.113 25819 4186 1 10 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.751 -1.268 25819 4187 1 10 . 1 1 75 75 VAL H H 75 8.975 8.975 8.692 0.283 25819 4188 1 10 . 1 1 76 76 THR N N 76 120.548 120.548 119.888 0.660 25819 4189 1 10 . 1 1 76 76 THR HA H 76 5.066 5.066 4.641 0.425 25819 4190 1 10 . 1 1 76 76 THR CA C 76 59.783 59.783 59.889 -0.106 25819 4191 1 10 . 1 1 76 76 THR CB C 76 70.733 70.733 70.805 -0.072 25819 4192 1 10 . 1 1 76 76 THR H H 76 8.650 8.650 8.398 0.252 25819 4193 1 10 . 1 1 77 77 ALA N N 77 126.454 126.454 125.768 0.686 25819 4194 1 10 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.647 -1.267 25819 4195 1 10 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.357 -1.927 25819 4196 1 10 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.430 -1.886 25819 4197 1 10 . 1 1 77 77 ALA H H 77 8.674 8.674 8.077 0.597 25819 4198 1 10 . 1 1 78 78 SER N N 78 113.568 113.568 117.404 -3.836 25819 4199 1 10 . 1 1 78 78 SER HA H 78 5.376 5.376 4.878 0.498 25819 4200 1 10 . 1 1 78 78 SER CA C 78 56.077 56.077 57.560 -1.483 25819 4201 1 10 . 1 1 78 78 SER CB C 78 65.730 65.730 66.256 -0.526 25819 4202 1 10 . 1 1 78 78 SER H H 78 8.117 8.117 8.356 -0.239 25819 4203 1 10 . 1 1 79 79 ILE N N 79 121.071 121.071 124.042 -2.971 25819 4204 1 10 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.547 -0.406 25819 4205 1 10 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.522 0.602 25819 4206 1 10 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.325 -2.516 25819 4207 1 10 . 1 1 79 79 ILE H H 79 8.446 8.446 7.743 0.703 25819 4208 1 10 . 1 1 80 80 GLY N N 80 117.157 117.157 116.520 0.637 25819 4209 1 10 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.503 -0.497 25819 4210 1 10 . 1 1 80 80 GLY H H 80 8.899 8.899 8.935 -0.036 25819 4211 1 10 . 1 1 81 81 GLY N N 81 110.715 110.715 110.149 0.566 25819 4212 1 10 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.980 -0.602 25819 4213 1 10 . 1 1 81 81 GLY H H 81 8.742 8.742 8.031 0.711 25819 4214 1 10 . 1 1 82 82 ILE N N 82 124.113 124.113 122.419 1.694 25819 4215 1 10 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.117 0.083 25819 4216 1 10 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.495 -1.462 25819 4217 1 10 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.207 -1.430 25819 4218 1 10 . 1 1 82 82 ILE H H 82 8.188 8.188 8.002 0.186 25819 4219 1 10 . 1 1 83 83 GLN N N 83 122.455 122.455 122.518 -0.063 25819 4220 1 10 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.635 0.760 25819 4221 1 10 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.215 -1.196 25819 4222 1 10 . 1 1 83 83 GLN CB C 83 32.515 32.515 33.071 -0.555 25819 4223 1 10 . 1 1 83 83 GLN H H 83 8.423 8.423 8.186 0.237 25819 4224 1 10 . 1 1 84 84 GLY N N 84 111.437 111.437 107.472 3.965 25819 4225 1 10 . 1 1 84 84 GLY H H 84 8.931 8.931 8.847 0.084 25819 4226 1 10 . 1 1 85 85 SER N N 85 113.878 113.878 114.034 -0.156 25819 4227 1 10 . 1 1 85 85 SER HA H 85 5.841 5.841 4.751 1.090 25819 4228 1 10 . 1 1 85 85 SER CA C 85 56.264 56.264 57.278 -1.014 25819 4229 1 10 . 1 1 85 85 SER CB C 85 66.946 66.946 66.064 0.882 25819 4230 1 10 . 1 1 85 85 SER H H 85 8.710 8.710 8.317 0.393 25819 4231 1 10 . 1 1 86 86 THR N N 86 115.389 115.389 115.419 -0.030 25819 4232 1 10 . 1 1 86 86 THR HA H 86 4.772 4.772 4.499 0.273 25819 4233 1 10 . 1 1 86 86 THR CA C 86 60.313 60.313 61.377 -1.064 25819 4234 1 10 . 1 1 86 86 THR CB C 86 69.852 69.852 71.630 -1.778 25819 4235 1 10 . 1 1 86 86 THR H H 86 8.854 8.854 8.634 0.220 25819 4236 1 10 . 1 1 87 87 ASP N N 87 124.623 124.623 122.248 2.375 25819 4237 1 10 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.855 0.581 25819 4238 1 10 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.193 0.603 25819 4239 1 10 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.966 -0.956 25819 4240 1 10 . 1 1 87 87 ASP H H 87 7.953 7.953 8.252 -0.299 25819 4241 1 10 . 1 1 88 88 PHE N N 88 123.574 123.574 124.707 -1.133 25819 4242 1 10 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.352 -0.421 25819 4243 1 10 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.455 0.513 25819 4244 1 10 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.572 0.312 25819 4245 1 10 . 1 1 88 88 PHE H H 88 9.094 9.094 8.456 0.638 25819 4246 1 10 . 1 1 89 89 LYS N N 89 126.965 126.965 125.830 1.135 25819 4247 1 10 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.798 0.240 25819 4248 1 10 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.519 -1.630 25819 4249 1 10 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.588 0.081 25819 4250 1 10 . 1 1 89 89 LYS H H 89 7.269 7.269 8.424 -1.155 25819 4251 1 10 . 1 1 90 90 VAL N N 90 126.148 126.148 129.116 -2.968 25819 4252 1 10 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.317 -0.306 25819 4253 1 10 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.185 0.362 25819 4254 1 10 . 1 1 90 90 VAL CB C 90 30.948 30.948 33.933 -2.985 25819 4255 1 10 . 1 1 90 90 VAL H H 90 9.086 9.086 8.506 0.580 25819 4256 1 10 . 1 1 91 91 THR N N 91 120.505 120.505 121.806 -1.301 25819 4257 1 10 . 1 1 91 91 THR HA H 91 4.568 4.568 4.752 -0.184 25819 4258 1 10 . 1 1 91 91 THR CA C 91 59.348 59.348 59.941 -0.593 25819 4259 1 10 . 1 1 91 91 THR CB C 91 68.970 68.970 70.922 -1.952 25819 4260 1 10 . 1 1 91 91 THR H H 91 8.757 8.757 8.273 0.484 25819 4261 1 11 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.503 -0.226 25819 4262 1 11 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.764 -1.543 25819 4263 1 11 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.374 -0.958 25819 4264 1 11 . 1 1 3 3 ALA N N 3 123.804 123.804 125.622 -1.818 25819 4265 1 11 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.328 -0.122 25819 4266 1 11 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.151 0.244 25819 4267 1 11 . 1 1 3 3 ALA CB C 3 18.840 18.840 17.956 0.884 25819 4268 1 11 . 1 1 3 3 ALA H H 3 8.647 8.647 8.119 0.528 25819 4269 1 11 . 1 1 4 4 ALA N N 4 124.058 124.058 126.448 -2.390 25819 4270 1 11 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.546 0.163 25819 4271 1 11 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.871 -0.849 25819 4272 1 11 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.122 -0.225 25819 4273 1 11 . 1 1 4 4 ALA H H 4 8.239 8.239 7.810 0.429 25819 4274 1 11 . 1 1 5 5 LEU N N 5 124.018 124.018 121.622 2.396 25819 4275 1 11 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.493 -1.121 25819 4276 1 11 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.975 -1.967 25819 4277 1 11 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.786 -0.544 25819 4278 1 11 . 1 1 5 5 LEU H H 5 8.560 8.560 8.715 -0.155 25819 4279 1 11 . 1 1 6 6 VAL N N 6 123.357 123.357 120.432 2.925 25819 4280 1 11 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.209 -0.112 25819 4281 1 11 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.592 -0.252 25819 4282 1 11 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.724 -0.776 25819 4283 1 11 . 1 1 6 6 VAL H H 6 9.119 9.119 8.306 0.813 25819 4284 1 11 . 1 1 7 7 SER N N 7 112.137 112.137 113.528 -1.391 25819 4285 1 11 . 1 1 7 7 SER HA H 7 4.445 4.445 4.764 -0.319 25819 4286 1 11 . 1 1 7 7 SER CA C 7 56.349 56.349 57.703 -1.353 25819 4287 1 11 . 1 1 7 7 SER CB C 7 64.361 64.361 66.034 -1.673 25819 4288 1 11 . 1 1 7 7 SER H H 7 7.680 7.680 7.772 -0.092 25819 4289 1 11 . 1 1 8 8 ILE N N 8 118.674 118.674 117.259 1.415 25819 4290 1 11 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.165 -0.492 25819 4291 1 11 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.118 0.028 25819 4292 1 11 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.272 -0.598 25819 4293 1 11 . 1 1 8 8 ILE H H 8 8.354 8.354 8.151 0.203 25819 4294 1 11 . 1 1 9 9 SER N N 9 121.319 121.319 119.754 1.565 25819 4295 1 11 . 1 1 9 9 SER HA H 9 4.863 4.863 4.826 0.037 25819 4296 1 11 . 1 1 9 9 SER CA C 9 55.381 55.381 57.619 -2.238 25819 4297 1 11 . 1 1 9 9 SER CB C 9 64.243 64.243 63.311 0.932 25819 4298 1 11 . 1 1 9 9 SER H H 9 9.028 9.028 8.664 0.364 25819 4299 1 11 . 1 1 10 10 VAL N N 10 127.509 127.509 121.602 5.907 25819 4300 1 11 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.578 0.472 25819 4301 1 11 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.274 0.638 25819 4302 1 11 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.852 -1.465 25819 4303 1 11 . 1 1 10 10 VAL H H 10 8.911 8.911 8.434 0.477 25819 4304 1 11 . 1 1 11 11 SER N N 11 121.860 121.860 121.036 0.824 25819 4305 1 11 . 1 1 11 11 SER CB C 11 64.373 64.373 62.546 1.827 25819 4306 1 11 . 1 1 11 11 SER H H 11 9.206 9.206 8.302 0.904 25819 4307 1 11 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.700 0.004 25819 4308 1 11 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.735 -1.836 25819 4309 1 11 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.439 1.650 25819 4310 1 11 . 1 1 13 13 THR N N 13 116.137 116.137 117.211 -1.074 25819 4311 1 11 . 1 1 13 13 THR HA H 13 4.770 4.770 4.376 0.394 25819 4312 1 11 . 1 1 13 13 THR CA C 13 60.153 60.153 61.355 -1.202 25819 4313 1 11 . 1 1 13 13 THR CB C 13 69.426 69.426 70.123 -0.697 25819 4314 1 11 . 1 1 13 13 THR H H 13 8.679 8.679 8.431 0.248 25819 4315 1 11 . 1 1 14 14 ASN N N 14 124.457 124.457 126.621 -2.164 25819 4316 1 11 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.827 -0.132 25819 4317 1 11 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.591 0.537 25819 4318 1 11 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.129 -1.536 25819 4319 1 11 . 1 1 14 14 ASN H H 14 8.710 8.710 8.734 -0.024 25819 4320 1 11 . 1 1 15 15 SER N N 15 113.673 113.673 115.992 -2.319 25819 4321 1 11 . 1 1 15 15 SER HA H 15 4.648 4.648 4.644 0.004 25819 4322 1 11 . 1 1 15 15 SER CA C 15 55.644 55.644 56.745 -1.101 25819 4323 1 11 . 1 1 15 15 SER CB C 15 63.953 63.953 64.867 -0.914 25819 4324 1 11 . 1 1 15 15 SER H H 15 9.127 9.127 7.386 1.741 25819 4325 1 11 . 1 1 16 16 THR N N 16 113.579 113.579 115.879 -2.300 25819 4326 1 11 . 1 1 16 16 THR HA H 16 4.976 4.976 4.939 0.037 25819 4327 1 11 . 1 1 16 16 THR CA C 16 58.445 58.445 60.867 -2.422 25819 4328 1 11 . 1 1 16 16 THR CB C 16 70.534 70.534 70.412 0.122 25819 4329 1 11 . 1 1 16 16 THR H H 16 7.962 7.962 8.224 -0.262 25819 4330 1 11 . 1 1 17 17 VAL N N 17 121.479 121.479 124.167 -2.688 25819 4331 1 11 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.512 -0.192 25819 4332 1 11 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.514 0.423 25819 4333 1 11 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.742 -0.339 25819 4334 1 11 . 1 1 17 17 VAL H H 17 7.969 7.969 8.650 -0.681 25819 4335 1 11 . 1 1 18 18 ALA N N 18 126.014 126.014 126.791 -0.777 25819 4336 1 11 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.289 -0.114 25819 4337 1 11 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.000 -1.037 25819 4338 1 11 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.575 -0.653 25819 4339 1 11 . 1 1 18 18 ALA H H 18 7.756 7.756 8.371 -0.615 25819 4340 1 11 . 1 1 19 19 LYS N N 19 119.741 119.741 122.880 -3.139 25819 4341 1 11 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.955 -0.468 25819 4342 1 11 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.654 0.118 25819 4343 1 11 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.768 -1.166 25819 4344 1 11 . 1 1 19 19 LYS H H 19 7.892 7.892 7.809 0.083 25819 4345 1 11 . 1 1 20 20 GLY N N 20 116.709 116.709 112.988 3.721 25819 4346 1 11 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.233 -1.470 25819 4347 1 11 . 1 1 20 20 GLY H H 20 8.615 8.615 8.606 0.009 25819 4348 1 11 . 1 1 21 21 LEU N N 21 123.004 123.004 120.942 2.062 25819 4349 1 11 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.830 -0.242 25819 4350 1 11 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.694 -0.329 25819 4351 1 11 . 1 1 21 21 LEU CB C 21 40.962 40.962 47.077 -6.115 25819 4352 1 11 . 1 1 21 21 LEU H H 21 8.013 8.013 8.144 -0.131 25819 4353 1 11 . 1 1 22 22 GLN N N 22 117.503 117.503 120.337 -2.834 25819 4354 1 11 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.178 -0.050 25819 4355 1 11 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.461 -0.792 25819 4356 1 11 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.720 -0.806 25819 4357 1 11 . 1 1 22 22 GLN H H 22 8.223 8.223 8.499 -0.276 25819 4358 1 11 . 1 1 23 23 GLU N N 23 118.126 118.126 125.658 -7.532 25819 4359 1 11 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.656 -0.093 25819 4360 1 11 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.891 -2.024 25819 4361 1 11 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.036 0.838 25819 4362 1 11 . 1 1 23 23 GLU H H 23 8.188 8.188 8.618 -0.430 25819 4363 1 11 . 1 1 24 24 ASN N N 24 125.841 125.841 124.491 1.350 25819 4364 1 11 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.004 -0.226 25819 4365 1 11 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.473 -0.962 25819 4366 1 11 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.516 0.230 25819 4367 1 11 . 1 1 24 24 ASN H H 24 9.390 9.390 8.799 0.591 25819 4368 1 11 . 1 1 25 25 PHE N N 25 122.824 122.824 125.797 -2.973 25819 4369 1 11 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.722 -0.071 25819 4370 1 11 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.303 -0.180 25819 4371 1 11 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.486 -3.428 25819 4372 1 11 . 1 1 25 25 PHE H H 25 8.061 8.061 8.794 -0.733 25819 4373 1 11 . 1 1 26 26 LYS N N 26 119.114 119.114 123.077 -3.963 25819 4374 1 11 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.399 0.845 25819 4375 1 11 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.097 -2.121 25819 4376 1 11 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.366 -1.705 25819 4377 1 11 . 1 1 26 26 LYS H H 26 9.255 9.255 7.355 1.900 25819 4378 1 11 . 1 1 27 27 ALA N N 27 125.583 125.583 125.793 -0.210 25819 4379 1 11 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.315 -0.053 25819 4380 1 11 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.561 -1.744 25819 4381 1 11 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.372 -1.212 25819 4382 1 11 . 1 1 27 27 ALA H H 27 9.120 9.120 8.275 0.845 25819 4383 1 11 . 1 1 28 28 THR HA H 28 4.837 4.837 4.630 0.207 25819 4384 1 11 . 1 1 28 28 THR CA C 28 60.566 60.566 60.985 -0.419 25819 4385 1 11 . 1 1 28 28 THR CB C 28 69.478 69.478 70.121 -0.643 25819 4386 1 11 . 1 1 28 28 THR H H 28 9.062 9.062 8.249 0.813 25819 4387 1 11 . 1 1 29 29 GLY N N 29 115.789 115.789 113.472 2.317 25819 4388 1 11 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.826 0.490 25819 4389 1 11 . 1 1 29 29 GLY H H 29 9.662 9.662 9.010 0.652 25819 4390 1 11 . 1 1 30 30 ILE N N 30 123.084 123.084 121.771 1.313 25819 4391 1 11 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.213 0.565 25819 4392 1 11 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.375 1.013 25819 4393 1 11 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.296 -3.413 25819 4394 1 11 . 1 1 30 30 ILE H H 30 7.914 7.914 8.430 -0.516 25819 4395 1 11 . 1 1 31 31 PHE N N 31 125.209 125.209 120.969 4.240 25819 4396 1 11 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.204 0.166 25819 4397 1 11 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.779 0.708 25819 4398 1 11 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.150 -0.997 25819 4399 1 11 . 1 1 31 31 PHE H H 31 8.316 8.316 8.227 0.089 25819 4400 1 11 . 1 1 32 32 THR N N 32 113.842 113.842 117.501 -3.659 25819 4401 1 11 . 1 1 32 32 THR HA H 32 4.404 4.404 4.220 0.184 25819 4402 1 11 . 1 1 32 32 THR CA C 32 64.157 64.157 65.652 -1.495 25819 4403 1 11 . 1 1 32 32 THR CB C 32 68.540 68.540 69.025 -0.485 25819 4404 1 11 . 1 1 32 32 THR H H 32 9.335 9.335 8.822 0.513 25819 4405 1 11 . 1 1 33 33 ASP N N 33 118.799 118.799 120.172 -1.373 25819 4406 1 11 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.650 -0.029 25819 4407 1 11 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.340 -1.377 25819 4408 1 11 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.106 -1.612 25819 4409 1 11 . 1 1 33 33 ASP H H 33 7.689 7.689 8.339 -0.650 25819 4410 1 11 . 1 1 34 34 ASN N N 34 112.993 112.993 114.069 -1.076 25819 4411 1 11 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.342 0.006 25819 4412 1 11 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.717 -0.371 25819 4413 1 11 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.572 -0.082 25819 4414 1 11 . 1 1 34 34 ASN H H 34 8.370 8.370 8.018 0.352 25819 4415 1 11 . 1 1 35 35 SER N N 35 115.543 115.543 115.298 0.245 25819 4416 1 11 . 1 1 35 35 SER HA H 35 4.413 4.413 4.644 -0.231 25819 4417 1 11 . 1 1 35 35 SER CA C 35 57.882 57.882 57.728 0.154 25819 4418 1 11 . 1 1 35 35 SER CB C 35 63.770 63.770 64.524 -0.754 25819 4419 1 11 . 1 1 35 35 SER H H 35 7.990 7.990 7.947 0.043 25819 4420 1 11 . 1 1 36 36 ASN N N 36 116.051 116.051 124.027 -7.976 25819 4421 1 11 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.596 -1.922 25819 4422 1 11 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.663 2.136 25819 4423 1 11 . 1 1 36 36 ASN H H 36 8.518 8.518 8.628 -0.110 25819 4424 1 11 . 1 1 37 37 SER N N 37 113.191 113.191 117.607 -4.416 25819 4425 1 11 . 1 1 37 37 SER HA H 37 4.715 4.715 4.694 0.021 25819 4426 1 11 . 1 1 37 37 SER CA C 37 56.801 56.801 57.358 -0.557 25819 4427 1 11 . 1 1 37 37 SER CB C 37 64.872 64.872 66.897 -2.025 25819 4428 1 11 . 1 1 37 37 SER H H 37 8.667 8.667 8.954 -0.287 25819 4429 1 11 . 1 1 38 38 ASP N N 38 123.961 123.961 121.398 2.563 25819 4430 1 11 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.628 0.359 25819 4431 1 11 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.269 0.932 25819 4432 1 11 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.125 -1.196 25819 4433 1 11 . 1 1 38 38 ASP H H 38 8.848 8.848 8.496 0.352 25819 4434 1 11 . 1 1 39 39 ILE N N 39 121.217 121.217 115.700 5.517 25819 4435 1 11 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.793 1.078 25819 4436 1 11 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.895 -2.188 25819 4437 1 11 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.105 1.981 25819 4438 1 11 . 1 1 39 39 ILE H H 39 8.815 8.815 8.401 0.414 25819 4439 1 11 . 1 1 40 40 THR N N 40 122.868 122.868 115.165 7.703 25819 4440 1 11 . 1 1 40 40 THR HA H 40 4.288 4.288 4.141 0.147 25819 4441 1 11 . 1 1 40 40 THR CB C 40 68.527 68.527 68.981 -0.454 25819 4442 1 11 . 1 1 40 40 THR H H 40 8.679 8.679 8.153 0.526 25819 4443 1 11 . 1 1 41 41 ASP N N 41 114.082 114.082 119.323 -5.241 25819 4444 1 11 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.796 -1.098 25819 4445 1 11 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.559 -1.081 25819 4446 1 11 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.981 -2.263 25819 4447 1 11 . 1 1 41 41 ASP H H 41 8.539 8.539 8.542 -0.003 25819 4448 1 11 . 1 1 42 42 GLN N N 42 117.086 117.086 117.241 -0.155 25819 4449 1 11 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.073 0.078 25819 4450 1 11 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.949 -0.413 25819 4451 1 11 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.044 3.172 25819 4452 1 11 . 1 1 42 42 GLN H H 42 7.718 7.718 7.306 0.412 25819 4453 1 11 . 1 1 43 43 VAL N N 43 109.916 109.916 122.331 -12.415 25819 4454 1 11 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.120 -0.030 25819 4455 1 11 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.182 -4.343 25819 4456 1 11 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.068 -0.795 25819 4457 1 11 . 1 1 43 43 VAL H H 43 6.902 6.902 8.349 -1.447 25819 4458 1 11 . 1 1 44 44 THR N N 44 116.273 116.273 126.846 -10.573 25819 4459 1 11 . 1 1 44 44 THR HA H 44 4.315 4.315 4.686 -0.371 25819 4460 1 11 . 1 1 44 44 THR CA C 44 61.651 61.651 62.130 -0.479 25819 4461 1 11 . 1 1 44 44 THR CB C 44 68.890 68.890 69.143 -0.253 25819 4462 1 11 . 1 1 44 44 THR H H 44 8.787 8.787 8.450 0.337 25819 4463 1 11 . 1 1 45 45 TRP N N 45 132.098 132.098 126.372 5.726 25819 4464 1 11 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.459 -0.214 25819 4465 1 11 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.316 1.071 25819 4466 1 11 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.102 -1.024 25819 4467 1 11 . 1 1 45 45 TRP H H 45 10.351 10.351 8.462 1.889 25819 4468 1 11 . 1 1 46 46 ASP N N 46 121.897 121.897 120.857 1.040 25819 4469 1 11 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.574 0.282 25819 4470 1 11 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.743 -0.946 25819 4471 1 11 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.657 0.418 25819 4472 1 11 . 1 1 46 46 ASP H H 46 9.471 9.471 8.273 1.198 25819 4473 1 11 . 1 1 47 47 SER N N 47 113.803 113.803 116.580 -2.777 25819 4474 1 11 . 1 1 47 47 SER HA H 47 5.043 5.043 4.951 0.092 25819 4475 1 11 . 1 1 47 47 SER CA C 47 53.059 53.059 56.540 -3.481 25819 4476 1 11 . 1 1 47 47 SER CB C 47 64.880 64.880 64.289 0.591 25819 4477 1 11 . 1 1 47 47 SER H H 47 8.502 8.502 8.335 0.167 25819 4478 1 11 . 1 1 48 48 SER N N 48 119.614 119.614 119.941 -0.327 25819 4479 1 11 . 1 1 48 48 SER HA H 48 4.264 4.264 4.296 -0.032 25819 4480 1 11 . 1 1 48 48 SER CA C 48 59.404 59.404 59.667 -0.263 25819 4481 1 11 . 1 1 48 48 SER CB C 48 62.026 62.026 63.529 -1.503 25819 4482 1 11 . 1 1 48 48 SER H H 48 8.517 8.517 8.531 -0.014 25819 4483 1 11 . 1 1 49 49 ASN N N 49 118.259 118.259 116.363 1.896 25819 4484 1 11 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.456 0.442 25819 4485 1 11 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.417 -1.576 25819 4486 1 11 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.516 -0.796 25819 4487 1 11 . 1 1 49 49 ASN H H 49 7.816 7.816 7.681 0.135 25819 4488 1 11 . 1 1 50 50 THR N N 50 119.289 119.289 110.075 9.214 25819 4489 1 11 . 1 1 50 50 THR HA H 50 4.541 4.541 4.500 0.041 25819 4490 1 11 . 1 1 50 50 THR CA C 50 62.137 62.137 63.347 -1.210 25819 4491 1 11 . 1 1 50 50 THR CB C 50 67.100 67.100 70.345 -3.245 25819 4492 1 11 . 1 1 50 50 THR H H 50 9.049 9.049 8.440 0.609 25819 4493 1 11 . 1 1 51 51 ASP N N 51 118.825 118.825 120.863 -2.038 25819 4494 1 11 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.776 -0.190 25819 4495 1 11 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.718 -0.028 25819 4496 1 11 . 1 1 51 51 ASP CB C 51 39.658 39.658 44.052 -4.394 25819 4497 1 11 . 1 1 51 51 ASP H H 51 8.251 8.251 8.016 0.235 25819 4498 1 11 . 1 1 52 52 ILE N N 52 118.411 118.411 120.048 -1.637 25819 4499 1 11 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.279 -0.354 25819 4500 1 11 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.040 0.641 25819 4501 1 11 . 1 1 52 52 ILE CB C 52 38.896 38.896 40.446 -1.550 25819 4502 1 11 . 1 1 52 52 ILE H H 52 7.169 7.169 7.916 -0.747 25819 4503 1 11 . 1 1 53 53 LEU N N 53 120.128 120.128 128.576 -8.448 25819 4504 1 11 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.935 0.086 25819 4505 1 11 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.159 -0.878 25819 4506 1 11 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.051 1.354 25819 4507 1 11 . 1 1 53 53 LEU H H 53 7.876 7.876 8.015 -0.139 25819 4508 1 11 . 1 1 54 54 SER N N 54 122.251 122.251 119.536 2.715 25819 4509 1 11 . 1 1 54 54 SER HA H 54 4.959 4.959 4.855 0.104 25819 4510 1 11 . 1 1 54 54 SER CA C 54 54.724 54.724 57.175 -2.451 25819 4511 1 11 . 1 1 54 54 SER CB C 54 64.417 64.417 65.782 -1.365 25819 4512 1 11 . 1 1 54 54 SER H H 54 8.650 8.650 8.737 -0.087 25819 4513 1 11 . 1 1 55 55 ILE N N 55 123.973 123.973 121.235 2.738 25819 4514 1 11 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.758 0.143 25819 4515 1 11 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.126 -0.258 25819 4516 1 11 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.250 1.168 25819 4517 1 11 . 1 1 55 55 ILE H H 55 9.082 9.082 8.232 0.850 25819 4518 1 11 . 1 1 56 56 SER N N 56 119.539 119.539 122.960 -3.421 25819 4519 1 11 . 1 1 56 56 SER HA H 56 4.387 4.387 4.709 -0.322 25819 4520 1 11 . 1 1 56 56 SER CA C 56 56.626 56.626 57.190 -0.564 25819 4521 1 11 . 1 1 56 56 SER CB C 56 63.106 63.106 65.206 -2.100 25819 4522 1 11 . 1 1 56 56 SER H H 56 7.905 7.905 8.404 -0.499 25819 4523 1 11 . 1 1 57 57 ASN N N 57 124.209 124.209 124.298 -0.089 25819 4524 1 11 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.269 -0.250 25819 4525 1 11 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.813 -1.344 25819 4526 1 11 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.245 0.845 25819 4527 1 11 . 1 1 57 57 ASN H H 57 8.945 8.945 8.840 0.105 25819 4528 1 11 . 1 1 58 58 ALA N N 58 124.300 124.300 126.139 -1.839 25819 4529 1 11 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.498 -0.365 25819 4530 1 11 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.798 -1.511 25819 4531 1 11 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.325 -0.971 25819 4532 1 11 . 1 1 58 58 ALA H H 58 8.150 8.150 8.293 -0.143 25819 4533 1 11 . 1 1 59 59 SER N N 59 113.299 113.299 115.246 -1.947 25819 4534 1 11 . 1 1 59 59 SER HA H 59 4.698 4.698 4.192 0.506 25819 4535 1 11 . 1 1 59 59 SER CA C 59 60.003 60.003 60.921 -0.918 25819 4536 1 11 . 1 1 59 59 SER CB C 59 62.574 62.574 63.426 -0.852 25819 4537 1 11 . 1 1 59 59 SER H H 59 8.377 8.377 8.587 -0.210 25819 4538 1 11 . 1 1 60 60 ASP N N 60 116.275 116.275 116.489 -0.214 25819 4539 1 11 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.694 -0.032 25819 4540 1 11 . 1 1 60 60 ASP CA C 60 52.759 52.759 53.993 -1.234 25819 4541 1 11 . 1 1 60 60 ASP CB C 60 39.712 39.712 42.106 -2.394 25819 4542 1 11 . 1 1 60 60 ASP H H 60 8.311 8.311 8.003 0.308 25819 4543 1 11 . 1 1 61 61 SER N N 61 112.649 112.649 111.789 0.860 25819 4544 1 11 . 1 1 61 61 SER HA H 61 4.630 4.630 4.369 0.261 25819 4545 1 11 . 1 1 61 61 SER CA C 61 56.180 56.180 59.472 -3.292 25819 4546 1 11 . 1 1 61 61 SER CB C 61 61.843 61.843 61.434 0.409 25819 4547 1 11 . 1 1 61 61 SER H H 61 7.588 7.588 8.095 -0.507 25819 4548 1 11 . 1 1 62 62 HIS N N 62 119.790 119.790 115.590 4.200 25819 4549 1 11 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.608 -0.561 25819 4550 1 11 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.553 1.365 25819 4551 1 11 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.410 -2.886 25819 4552 1 11 . 1 1 62 62 HIS H H 62 8.030 8.030 7.709 0.321 25819 4553 1 11 . 1 1 63 63 GLY N N 63 113.301 113.301 107.881 5.420 25819 4554 1 11 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.639 -0.986 25819 4555 1 11 . 1 1 63 63 GLY H H 63 8.733 8.733 8.704 0.029 25819 4556 1 11 . 1 1 64 64 LEU N N 64 120.664 120.664 126.347 -5.683 25819 4557 1 11 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.949 -0.563 25819 4558 1 11 . 1 1 64 64 LEU CA C 64 54.893 54.893 55.167 -0.274 25819 4559 1 11 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.592 -4.129 25819 4560 1 11 . 1 1 64 64 LEU H H 64 7.679 7.679 8.185 -0.506 25819 4561 1 11 . 1 1 65 65 ALA N N 65 108.347 108.347 125.991 -17.644 25819 4562 1 11 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.687 0.715 25819 4563 1 11 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.572 -1.304 25819 4564 1 11 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.621 0.934 25819 4565 1 11 . 1 1 65 65 ALA H H 65 9.874 9.874 8.927 0.947 25819 4566 1 11 . 1 1 66 66 SER N N 66 115.951 115.951 122.492 -6.541 25819 4567 1 11 . 1 1 66 66 SER HA H 66 4.909 4.909 5.046 -0.137 25819 4568 1 11 . 1 1 66 66 SER CA C 66 56.645 56.645 57.134 -0.489 25819 4569 1 11 . 1 1 66 66 SER CB C 66 63.823 63.823 64.101 -0.278 25819 4570 1 11 . 1 1 66 66 SER H H 66 8.938 8.938 8.696 0.242 25819 4571 1 11 . 1 1 67 67 THR N N 67 113.595 113.595 120.376 -6.781 25819 4572 1 11 . 1 1 67 67 THR HA H 67 4.649 4.649 4.703 -0.054 25819 4573 1 11 . 1 1 67 67 THR CA C 67 59.216 59.216 61.268 -2.052 25819 4574 1 11 . 1 1 67 67 THR CB C 67 69.006 69.006 70.540 -1.534 25819 4575 1 11 . 1 1 67 67 THR H H 67 8.258 8.258 8.951 -0.693 25819 4576 1 11 . 1 1 68 68 LEU N N 68 124.152 124.152 123.045 1.107 25819 4577 1 11 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.617 -0.261 25819 4578 1 11 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.886 0.226 25819 4579 1 11 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.896 0.019 25819 4580 1 11 . 1 1 68 68 LEU H H 68 8.616 8.616 8.012 0.604 25819 4581 1 11 . 1 1 69 69 ASN N N 69 115.821 115.821 117.807 -1.986 25819 4582 1 11 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.771 -0.127 25819 4583 1 11 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.025 -0.569 25819 4584 1 11 . 1 1 69 69 ASN CB C 69 42.306 42.306 39.455 2.851 25819 4585 1 11 . 1 1 69 69 ASN H H 69 7.965 7.965 7.930 0.035 25819 4586 1 11 . 1 1 70 70 GLN N N 70 114.564 114.564 115.080 -0.516 25819 4587 1 11 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.712 -0.786 25819 4588 1 11 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.797 0.440 25819 4589 1 11 . 1 1 70 70 GLN CB C 70 29.006 29.006 29.351 -0.344 25819 4590 1 11 . 1 1 70 70 GLN H H 70 8.287 8.287 8.615 -0.328 25819 4591 1 11 . 1 1 71 71 GLY N N 71 108.006 108.006 109.012 -1.006 25819 4592 1 11 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.296 -1.610 25819 4593 1 11 . 1 1 71 71 GLY H H 71 8.520 8.520 8.195 0.325 25819 4594 1 11 . 1 1 72 72 ASN N N 72 117.784 117.784 119.426 -1.642 25819 4595 1 11 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.124 0.349 25819 4596 1 11 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.443 -0.752 25819 4597 1 11 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.167 -1.271 25819 4598 1 11 . 1 1 72 72 ASN H H 72 8.420 8.420 8.430 -0.010 25819 4599 1 11 . 1 1 73 73 VAL N N 73 115.849 115.849 114.531 1.318 25819 4600 1 11 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.616 -0.085 25819 4601 1 11 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.877 -0.902 25819 4602 1 11 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.805 -0.626 25819 4603 1 11 . 1 1 73 73 VAL H H 73 8.990 8.990 9.191 -0.201 25819 4604 1 11 . 1 1 74 74 LYS N N 74 123.196 123.196 124.853 -1.657 25819 4605 1 11 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.610 0.546 25819 4606 1 11 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.918 -1.037 25819 4607 1 11 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.202 0.395 25819 4608 1 11 . 1 1 74 74 LYS H H 74 8.716 8.716 8.593 0.123 25819 4609 1 11 . 1 1 75 75 VAL N N 75 129.522 129.522 129.444 0.078 25819 4610 1 11 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.742 -0.200 25819 4611 1 11 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.317 -0.501 25819 4612 1 11 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.519 -0.036 25819 4613 1 11 . 1 1 75 75 VAL H H 75 8.975 8.975 8.293 0.682 25819 4614 1 11 . 1 1 76 76 THR N N 76 120.548 120.548 122.208 -1.660 25819 4615 1 11 . 1 1 76 76 THR HA H 76 5.066 5.066 4.829 0.237 25819 4616 1 11 . 1 1 76 76 THR CA C 76 59.783 59.783 60.808 -1.025 25819 4617 1 11 . 1 1 76 76 THR CB C 76 70.733 70.733 70.583 0.150 25819 4618 1 11 . 1 1 76 76 THR H H 76 8.650 8.650 8.347 0.303 25819 4619 1 11 . 1 1 77 77 ALA N N 77 126.454 126.454 126.612 -0.158 25819 4620 1 11 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.099 -0.719 25819 4621 1 11 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.693 -2.263 25819 4622 1 11 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.502 -1.958 25819 4623 1 11 . 1 1 77 77 ALA H H 77 8.674 8.674 9.014 -0.340 25819 4624 1 11 . 1 1 78 78 SER N N 78 113.568 113.568 117.251 -3.683 25819 4625 1 11 . 1 1 78 78 SER HA H 78 5.376 5.376 4.982 0.394 25819 4626 1 11 . 1 1 78 78 SER CA C 78 56.077 56.077 57.946 -1.869 25819 4627 1 11 . 1 1 78 78 SER CB C 78 65.730 65.730 66.037 -0.307 25819 4628 1 11 . 1 1 78 78 SER H H 78 8.117 8.117 8.360 -0.243 25819 4629 1 11 . 1 1 79 79 ILE N N 79 121.071 121.071 124.304 -3.233 25819 4630 1 11 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.537 -0.396 25819 4631 1 11 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.283 0.841 25819 4632 1 11 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.473 -1.664 25819 4633 1 11 . 1 1 79 79 ILE H H 79 8.446 8.446 7.853 0.593 25819 4634 1 11 . 1 1 80 80 GLY N N 80 117.157 117.157 116.912 0.245 25819 4635 1 11 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.417 -0.411 25819 4636 1 11 . 1 1 80 80 GLY H H 80 8.899 8.899 8.951 -0.052 25819 4637 1 11 . 1 1 81 81 GLY N N 81 110.715 110.715 110.634 0.081 25819 4638 1 11 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.865 -0.487 25819 4639 1 11 . 1 1 81 81 GLY H H 81 8.742 8.742 8.099 0.643 25819 4640 1 11 . 1 1 82 82 ILE N N 82 124.113 124.113 121.413 2.700 25819 4641 1 11 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.158 0.042 25819 4642 1 11 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.947 -0.914 25819 4643 1 11 . 1 1 82 82 ILE CB C 82 36.777 36.777 37.932 -1.155 25819 4644 1 11 . 1 1 82 82 ILE H H 82 8.188 8.188 8.116 0.072 25819 4645 1 11 . 1 1 83 83 GLN N N 83 122.455 122.455 121.330 1.125 25819 4646 1 11 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.623 0.772 25819 4647 1 11 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.220 -1.200 25819 4648 1 11 . 1 1 83 83 GLN CB C 83 32.515 32.515 33.035 -0.520 25819 4649 1 11 . 1 1 83 83 GLN H H 83 8.423 8.423 8.223 0.200 25819 4650 1 11 . 1 1 84 84 GLY N N 84 111.437 111.437 108.241 3.196 25819 4651 1 11 . 1 1 84 84 GLY H H 84 8.931 8.931 9.071 -0.140 25819 4652 1 11 . 1 1 85 85 SER N N 85 113.878 113.878 117.364 -3.486 25819 4653 1 11 . 1 1 85 85 SER HA H 85 5.841 5.841 5.101 0.740 25819 4654 1 11 . 1 1 85 85 SER CA C 85 56.264 56.264 57.135 -0.871 25819 4655 1 11 . 1 1 85 85 SER CB C 85 66.946 66.946 65.664 1.282 25819 4656 1 11 . 1 1 85 85 SER H H 85 8.710 8.710 8.442 0.268 25819 4657 1 11 . 1 1 86 86 THR N N 86 115.389 115.389 116.383 -0.994 25819 4658 1 11 . 1 1 86 86 THR HA H 86 4.772 4.772 4.925 -0.153 25819 4659 1 11 . 1 1 86 86 THR CA C 86 60.313 60.313 61.441 -1.127 25819 4660 1 11 . 1 1 86 86 THR CB C 86 69.852 69.852 72.061 -2.209 25819 4661 1 11 . 1 1 86 86 THR H H 86 8.854 8.854 8.420 0.434 25819 4662 1 11 . 1 1 87 87 ASP N N 87 124.623 124.623 122.607 2.016 25819 4663 1 11 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.976 0.460 25819 4664 1 11 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.076 0.720 25819 4665 1 11 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.166 -1.156 25819 4666 1 11 . 1 1 87 87 ASP H H 87 7.953 7.953 8.255 -0.302 25819 4667 1 11 . 1 1 88 88 PHE N N 88 123.574 123.574 124.529 -0.955 25819 4668 1 11 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.427 -0.496 25819 4669 1 11 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.471 0.497 25819 4670 1 11 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.583 -0.699 25819 4671 1 11 . 1 1 88 88 PHE H H 88 9.094 9.094 8.495 0.599 25819 4672 1 11 . 1 1 89 89 LYS N N 89 126.965 126.965 124.082 2.883 25819 4673 1 11 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.990 0.048 25819 4674 1 11 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.328 -1.439 25819 4675 1 11 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.294 -0.625 25819 4676 1 11 . 1 1 89 89 LYS H H 89 7.269 7.269 8.300 -1.031 25819 4677 1 11 . 1 1 90 90 VAL N N 90 126.148 126.148 127.851 -1.703 25819 4678 1 11 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.119 -0.108 25819 4679 1 11 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.569 -2.022 25819 4680 1 11 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.197 -1.248 25819 4681 1 11 . 1 1 90 90 VAL H H 90 9.086 9.086 8.687 0.399 25819 4682 1 11 . 1 1 91 91 THR N N 91 120.505 120.505 122.338 -1.833 25819 4683 1 11 . 1 1 91 91 THR HA H 91 4.568 4.568 4.643 -0.075 25819 4684 1 11 . 1 1 91 91 THR CA C 91 59.348 59.348 59.976 -0.628 25819 4685 1 11 . 1 1 91 91 THR CB C 91 68.970 68.970 70.226 -1.256 25819 4686 1 11 . 1 1 91 91 THR H H 91 8.757 8.757 8.562 0.195 25819 4687 1 12 . 1 1 2 2 PRO HA H 2 4.277 4.277 5.132 -0.855 25819 4688 1 12 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.586 -1.365 25819 4689 1 12 . 1 1 2 2 PRO CB C 2 31.416 31.416 33.116 -1.700 25819 4690 1 12 . 1 1 3 3 ALA N N 3 123.804 123.804 122.146 1.658 25819 4691 1 12 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.470 -0.264 25819 4692 1 12 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.443 -0.048 25819 4693 1 12 . 1 1 3 3 ALA CB C 3 18.840 18.840 21.360 -2.519 25819 4694 1 12 . 1 1 3 3 ALA H H 3 8.647 8.647 7.964 0.683 25819 4695 1 12 . 1 1 4 4 ALA N N 4 124.058 124.058 122.474 1.584 25819 4696 1 12 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.900 -0.191 25819 4697 1 12 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.138 -1.116 25819 4698 1 12 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.582 -1.685 25819 4699 1 12 . 1 1 4 4 ALA H H 4 8.239 8.239 8.505 -0.266 25819 4700 1 12 . 1 1 5 5 LEU N N 5 124.018 124.018 122.801 1.217 25819 4701 1 12 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.924 -0.552 25819 4702 1 12 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.608 -1.600 25819 4703 1 12 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.896 -0.654 25819 4704 1 12 . 1 1 5 5 LEU H H 5 8.560 8.560 8.696 -0.136 25819 4705 1 12 . 1 1 6 6 VAL N N 6 123.357 123.357 118.553 4.804 25819 4706 1 12 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.217 -0.120 25819 4707 1 12 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.598 -0.258 25819 4708 1 12 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.870 -0.922 25819 4709 1 12 . 1 1 6 6 VAL H H 6 9.119 9.119 8.251 0.868 25819 4710 1 12 . 1 1 7 7 SER N N 7 112.137 112.137 114.571 -2.434 25819 4711 1 12 . 1 1 7 7 SER HA H 7 4.445 4.445 4.938 -0.493 25819 4712 1 12 . 1 1 7 7 SER CA C 7 56.349 56.349 57.366 -1.017 25819 4713 1 12 . 1 1 7 7 SER CB C 7 64.361 64.361 66.332 -1.971 25819 4714 1 12 . 1 1 7 7 SER H H 7 7.680 7.680 7.884 -0.204 25819 4715 1 12 . 1 1 8 8 ILE N N 8 118.674 118.674 115.510 3.164 25819 4716 1 12 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.176 -0.503 25819 4717 1 12 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.536 -0.390 25819 4718 1 12 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.660 -0.986 25819 4719 1 12 . 1 1 8 8 ILE H H 8 8.354 8.354 8.199 0.155 25819 4720 1 12 . 1 1 9 9 SER N N 9 121.319 121.319 121.080 0.239 25819 4721 1 12 . 1 1 9 9 SER HA H 9 4.863 4.863 4.887 -0.024 25819 4722 1 12 . 1 1 9 9 SER CA C 9 55.381 55.381 57.557 -2.176 25819 4723 1 12 . 1 1 9 9 SER CB C 9 64.243 64.243 63.662 0.581 25819 4724 1 12 . 1 1 9 9 SER H H 9 9.028 9.028 8.841 0.187 25819 4725 1 12 . 1 1 10 10 VAL N N 10 127.509 127.509 120.979 6.530 25819 4726 1 12 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.749 0.301 25819 4727 1 12 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.667 1.245 25819 4728 1 12 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.288 -0.900 25819 4729 1 12 . 1 1 10 10 VAL H H 10 8.911 8.911 8.539 0.372 25819 4730 1 12 . 1 1 11 11 SER N N 11 121.860 121.860 121.298 0.562 25819 4731 1 12 . 1 1 11 11 SER CB C 11 64.373 64.373 62.938 1.435 25819 4732 1 12 . 1 1 11 11 SER H H 11 9.206 9.206 8.332 0.874 25819 4733 1 12 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.541 0.163 25819 4734 1 12 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.658 -1.759 25819 4735 1 12 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.279 1.810 25819 4736 1 12 . 1 1 13 13 THR N N 13 116.137 116.137 117.922 -1.785 25819 4737 1 12 . 1 1 13 13 THR HA H 13 4.770 4.770 4.528 0.242 25819 4738 1 12 . 1 1 13 13 THR CA C 13 60.153 60.153 61.828 -1.675 25819 4739 1 12 . 1 1 13 13 THR CB C 13 69.426 69.426 70.292 -0.866 25819 4740 1 12 . 1 1 13 13 THR H H 13 8.679 8.679 8.218 0.461 25819 4741 1 12 . 1 1 14 14 ASN N N 14 124.457 124.457 124.021 0.436 25819 4742 1 12 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.337 -0.642 25819 4743 1 12 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.015 1.113 25819 4744 1 12 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.105 -1.512 25819 4745 1 12 . 1 1 14 14 ASN H H 14 8.710 8.710 8.881 -0.171 25819 4746 1 12 . 1 1 15 15 SER N N 15 113.673 113.673 115.821 -2.148 25819 4747 1 12 . 1 1 15 15 SER HA H 15 4.648 4.648 4.574 0.074 25819 4748 1 12 . 1 1 15 15 SER CA C 15 55.644 55.644 56.656 -1.012 25819 4749 1 12 . 1 1 15 15 SER CB C 15 63.953 63.953 64.195 -0.242 25819 4750 1 12 . 1 1 15 15 SER H H 15 9.127 9.127 8.036 1.091 25819 4751 1 12 . 1 1 16 16 THR N N 16 113.579 113.579 115.535 -1.956 25819 4752 1 12 . 1 1 16 16 THR HA H 16 4.976 4.976 4.536 0.440 25819 4753 1 12 . 1 1 16 16 THR CA C 16 58.445 58.445 59.957 -1.512 25819 4754 1 12 . 1 1 16 16 THR CB C 16 70.534 70.534 69.815 0.719 25819 4755 1 12 . 1 1 16 16 THR H H 16 7.962 7.962 8.043 -0.081 25819 4756 1 12 . 1 1 17 17 VAL N N 17 121.479 121.479 118.516 2.963 25819 4757 1 12 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.524 -0.204 25819 4758 1 12 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.550 0.387 25819 4759 1 12 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.585 -0.181 25819 4760 1 12 . 1 1 17 17 VAL H H 17 7.969 7.969 8.164 -0.195 25819 4761 1 12 . 1 1 18 18 ALA N N 18 126.014 126.014 125.085 0.929 25819 4762 1 12 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.463 -0.288 25819 4763 1 12 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.712 -0.749 25819 4764 1 12 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.642 -0.720 25819 4765 1 12 . 1 1 18 18 ALA H H 18 7.756 7.756 8.240 -0.484 25819 4766 1 12 . 1 1 19 19 LYS N N 19 119.741 119.741 121.998 -2.257 25819 4767 1 12 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.116 -0.629 25819 4768 1 12 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.262 0.510 25819 4769 1 12 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.043 -0.441 25819 4770 1 12 . 1 1 19 19 LYS H H 19 7.892 7.892 8.151 -0.259 25819 4771 1 12 . 1 1 20 20 GLY N N 20 116.709 116.709 113.790 2.919 25819 4772 1 12 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.462 -1.699 25819 4773 1 12 . 1 1 20 20 GLY H H 20 8.615 8.615 8.634 -0.019 25819 4774 1 12 . 1 1 21 21 LEU N N 21 123.004 123.004 123.812 -0.808 25819 4775 1 12 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.730 -0.142 25819 4776 1 12 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.449 -1.084 25819 4777 1 12 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.198 -5.236 25819 4778 1 12 . 1 1 21 21 LEU H H 21 8.013 8.013 7.916 0.097 25819 4779 1 12 . 1 1 22 22 GLN N N 22 117.503 117.503 119.503 -2.000 25819 4780 1 12 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.356 -0.228 25819 4781 1 12 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.529 -0.860 25819 4782 1 12 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.525 -0.611 25819 4783 1 12 . 1 1 22 22 GLN H H 22 8.223 8.223 8.495 -0.272 25819 4784 1 12 . 1 1 23 23 GLU N N 23 118.126 118.126 125.169 -7.043 25819 4785 1 12 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.756 -0.193 25819 4786 1 12 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.710 -2.843 25819 4787 1 12 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.964 -0.090 25819 4788 1 12 . 1 1 23 23 GLU H H 23 8.188 8.188 8.944 -0.756 25819 4789 1 12 . 1 1 24 24 ASN N N 24 125.841 125.841 125.630 0.211 25819 4790 1 12 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.073 -0.295 25819 4791 1 12 . 1 1 24 24 ASN CA C 24 52.511 52.511 54.271 -1.760 25819 4792 1 12 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.337 0.409 25819 4793 1 12 . 1 1 24 24 ASN H H 24 9.390 9.390 8.744 0.646 25819 4794 1 12 . 1 1 25 25 PHE N N 25 122.824 122.824 124.497 -1.673 25819 4795 1 12 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.601 0.050 25819 4796 1 12 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.555 0.568 25819 4797 1 12 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.288 -3.229 25819 4798 1 12 . 1 1 25 25 PHE H H 25 8.061 8.061 8.620 -0.559 25819 4799 1 12 . 1 1 26 26 LYS N N 26 119.114 119.114 123.417 -4.303 25819 4800 1 12 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.271 0.973 25819 4801 1 12 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.011 -2.035 25819 4802 1 12 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.614 -1.953 25819 4803 1 12 . 1 1 26 26 LYS H H 26 9.255 9.255 7.553 1.702 25819 4804 1 12 . 1 1 27 27 ALA N N 27 125.583 125.583 125.951 -0.368 25819 4805 1 12 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.112 0.150 25819 4806 1 12 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.642 -1.825 25819 4807 1 12 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.125 -0.965 25819 4808 1 12 . 1 1 27 27 ALA H H 27 9.120 9.120 8.213 0.907 25819 4809 1 12 . 1 1 28 28 THR HA H 28 4.837 4.837 4.602 0.235 25819 4810 1 12 . 1 1 28 28 THR CA C 28 60.566 60.566 61.815 -1.249 25819 4811 1 12 . 1 1 28 28 THR CB C 28 69.478 69.478 70.394 -0.916 25819 4812 1 12 . 1 1 28 28 THR H H 28 9.062 9.062 8.493 0.569 25819 4813 1 12 . 1 1 29 29 GLY N N 29 115.789 115.789 113.738 2.051 25819 4814 1 12 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.709 0.607 25819 4815 1 12 . 1 1 29 29 GLY H H 29 9.662 9.662 8.839 0.823 25819 4816 1 12 . 1 1 30 30 ILE N N 30 123.084 123.084 122.772 0.312 25819 4817 1 12 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.379 0.399 25819 4818 1 12 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.042 -0.654 25819 4819 1 12 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.631 -4.748 25819 4820 1 12 . 1 1 30 30 ILE H H 30 7.914 7.914 8.612 -0.698 25819 4821 1 12 . 1 1 31 31 PHE N N 31 125.209 125.209 123.022 2.187 25819 4822 1 12 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.127 0.243 25819 4823 1 12 . 1 1 31 31 PHE CA C 31 56.487 56.487 57.137 -0.650 25819 4824 1 12 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.175 -1.022 25819 4825 1 12 . 1 1 31 31 PHE H H 31 8.316 8.316 8.234 0.082 25819 4826 1 12 . 1 1 32 32 THR N N 32 113.842 113.842 116.114 -2.272 25819 4827 1 12 . 1 1 32 32 THR HA H 32 4.404 4.404 4.189 0.215 25819 4828 1 12 . 1 1 32 32 THR CA C 32 64.157 64.157 64.014 0.143 25819 4829 1 12 . 1 1 32 32 THR CB C 32 68.540 68.540 68.723 -0.183 25819 4830 1 12 . 1 1 32 32 THR H H 32 9.335 9.335 8.899 0.436 25819 4831 1 12 . 1 1 33 33 ASP N N 33 118.799 118.799 119.622 -0.823 25819 4832 1 12 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.683 -0.062 25819 4833 1 12 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.804 -1.841 25819 4834 1 12 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.505 -2.011 25819 4835 1 12 . 1 1 33 33 ASP H H 33 7.689 7.689 8.510 -0.821 25819 4836 1 12 . 1 1 34 34 ASN N N 34 112.993 112.993 114.465 -1.472 25819 4837 1 12 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.363 -0.015 25819 4838 1 12 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.670 -0.324 25819 4839 1 12 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.481 0.009 25819 4840 1 12 . 1 1 34 34 ASN H H 34 8.370 8.370 7.962 0.408 25819 4841 1 12 . 1 1 35 35 SER N N 35 115.543 115.543 115.874 -0.331 25819 4842 1 12 . 1 1 35 35 SER HA H 35 4.413 4.413 4.630 -0.217 25819 4843 1 12 . 1 1 35 35 SER CA C 35 57.882 57.882 57.553 0.329 25819 4844 1 12 . 1 1 35 35 SER CB C 35 63.770 63.770 64.478 -0.708 25819 4845 1 12 . 1 1 35 35 SER H H 35 7.990 7.990 7.970 0.020 25819 4846 1 12 . 1 1 36 36 ASN N N 36 116.051 116.051 125.496 -9.445 25819 4847 1 12 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.049 -2.375 25819 4848 1 12 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.830 1.969 25819 4849 1 12 . 1 1 36 36 ASN H H 36 8.518 8.518 8.849 -0.331 25819 4850 1 12 . 1 1 37 37 SER N N 37 113.191 113.191 116.835 -3.644 25819 4851 1 12 . 1 1 37 37 SER HA H 37 4.715 4.715 4.838 -0.123 25819 4852 1 12 . 1 1 37 37 SER CA C 37 56.801 56.801 57.402 -0.601 25819 4853 1 12 . 1 1 37 37 SER CB C 37 64.872 64.872 66.284 -1.413 25819 4854 1 12 . 1 1 37 37 SER H H 37 8.667 8.667 9.162 -0.495 25819 4855 1 12 . 1 1 38 38 ASP N N 38 123.961 123.961 120.614 3.347 25819 4856 1 12 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.673 0.314 25819 4857 1 12 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.514 0.687 25819 4858 1 12 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.859 -0.930 25819 4859 1 12 . 1 1 38 38 ASP H H 38 8.848 8.848 8.535 0.313 25819 4860 1 12 . 1 1 39 39 ILE N N 39 121.217 121.217 116.000 5.217 25819 4861 1 12 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.671 1.200 25819 4862 1 12 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.218 -2.510 25819 4863 1 12 . 1 1 39 39 ILE CB C 39 37.086 37.086 34.851 2.235 25819 4864 1 12 . 1 1 39 39 ILE H H 39 8.815 8.815 8.259 0.556 25819 4865 1 12 . 1 1 40 40 THR N N 40 122.868 122.868 114.908 7.960 25819 4866 1 12 . 1 1 40 40 THR HA H 40 4.288 4.288 4.102 0.186 25819 4867 1 12 . 1 1 40 40 THR CB C 40 68.527 68.527 69.044 -0.517 25819 4868 1 12 . 1 1 40 40 THR H H 40 8.679 8.679 8.204 0.475 25819 4869 1 12 . 1 1 41 41 ASP N N 41 114.082 114.082 119.170 -5.088 25819 4870 1 12 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.845 -1.147 25819 4871 1 12 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.902 -0.424 25819 4872 1 12 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.673 -1.955 25819 4873 1 12 . 1 1 41 41 ASP H H 41 8.539 8.539 8.349 0.190 25819 4874 1 12 . 1 1 42 42 GLN N N 42 117.086 117.086 116.241 0.845 25819 4875 1 12 . 1 1 42 42 GLN HA H 42 4.151 4.151 3.999 0.152 25819 4876 1 12 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.053 -0.517 25819 4877 1 12 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.727 3.489 25819 4878 1 12 . 1 1 42 42 GLN H H 42 7.718 7.718 7.374 0.344 25819 4879 1 12 . 1 1 43 43 VAL N N 43 109.916 109.916 121.001 -11.085 25819 4880 1 12 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.069 0.020 25819 4881 1 12 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.492 -4.652 25819 4882 1 12 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.424 -1.151 25819 4883 1 12 . 1 1 43 43 VAL H H 43 6.902 6.902 8.205 -1.303 25819 4884 1 12 . 1 1 44 44 THR N N 44 116.273 116.273 127.123 -10.850 25819 4885 1 12 . 1 1 44 44 THR HA H 44 4.315 4.315 4.730 -0.415 25819 4886 1 12 . 1 1 44 44 THR CA C 44 61.651 61.651 62.464 -0.813 25819 4887 1 12 . 1 1 44 44 THR CB C 44 68.890 68.890 68.902 -0.012 25819 4888 1 12 . 1 1 44 44 THR H H 44 8.787 8.787 8.689 0.098 25819 4889 1 12 . 1 1 45 45 TRP N N 45 132.098 132.098 126.913 5.185 25819 4890 1 12 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.400 -0.155 25819 4891 1 12 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.801 0.586 25819 4892 1 12 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.577 -1.500 25819 4893 1 12 . 1 1 45 45 TRP H H 45 10.351 10.351 8.332 2.019 25819 4894 1 12 . 1 1 46 46 ASP N N 46 121.897 121.897 122.693 -0.796 25819 4895 1 12 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.670 0.187 25819 4896 1 12 . 1 1 46 46 ASP CA C 46 52.797 52.797 52.849 -0.051 25819 4897 1 12 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.409 0.666 25819 4898 1 12 . 1 1 46 46 ASP H H 46 9.471 9.471 8.098 1.373 25819 4899 1 12 . 1 1 47 47 SER N N 47 113.803 113.803 114.339 -0.536 25819 4900 1 12 . 1 1 47 47 SER HA H 47 5.043 5.043 5.048 -0.005 25819 4901 1 12 . 1 1 47 47 SER CA C 47 53.059 53.059 56.351 -3.292 25819 4902 1 12 . 1 1 47 47 SER CB C 47 64.880 64.880 65.376 -0.496 25819 4903 1 12 . 1 1 47 47 SER H H 47 8.502 8.502 8.240 0.262 25819 4904 1 12 . 1 1 48 48 SER N N 48 119.614 119.614 118.935 0.679 25819 4905 1 12 . 1 1 48 48 SER HA H 48 4.264 4.264 4.212 0.052 25819 4906 1 12 . 1 1 48 48 SER CA C 48 59.404 59.404 60.588 -1.184 25819 4907 1 12 . 1 1 48 48 SER CB C 48 62.026 62.026 63.434 -1.407 25819 4908 1 12 . 1 1 48 48 SER H H 48 8.517 8.517 8.658 -0.141 25819 4909 1 12 . 1 1 49 49 ASN N N 49 118.259 118.259 117.195 1.064 25819 4910 1 12 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.591 0.307 25819 4911 1 12 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.119 -1.278 25819 4912 1 12 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.533 -0.813 25819 4913 1 12 . 1 1 49 49 ASN H H 49 7.816 7.816 8.278 -0.462 25819 4914 1 12 . 1 1 50 50 THR N N 50 119.289 119.289 116.121 3.168 25819 4915 1 12 . 1 1 50 50 THR HA H 50 4.541 4.541 4.403 0.138 25819 4916 1 12 . 1 1 50 50 THR CA C 50 62.137 62.137 64.683 -2.546 25819 4917 1 12 . 1 1 50 50 THR CB C 50 67.100 67.100 69.240 -2.140 25819 4918 1 12 . 1 1 50 50 THR H H 50 9.049 9.049 8.178 0.871 25819 4919 1 12 . 1 1 51 51 ASP N N 51 118.825 118.825 118.867 -0.042 25819 4920 1 12 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.700 -0.114 25819 4921 1 12 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.963 -0.273 25819 4922 1 12 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.028 -2.370 25819 4923 1 12 . 1 1 51 51 ASP H H 51 8.251 8.251 8.298 -0.047 25819 4924 1 12 . 1 1 52 52 ILE N N 52 118.411 118.411 119.054 -0.643 25819 4925 1 12 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.243 -0.318 25819 4926 1 12 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.155 0.526 25819 4927 1 12 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.742 -0.846 25819 4928 1 12 . 1 1 52 52 ILE H H 52 7.169 7.169 7.597 -0.428 25819 4929 1 12 . 1 1 53 53 LEU N N 53 120.128 120.128 124.565 -4.437 25819 4930 1 12 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.151 -0.130 25819 4931 1 12 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.276 0.005 25819 4932 1 12 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.878 1.527 25819 4933 1 12 . 1 1 53 53 LEU H H 53 7.876 7.876 8.020 -0.144 25819 4934 1 12 . 1 1 54 54 SER N N 54 122.251 122.251 116.441 5.810 25819 4935 1 12 . 1 1 54 54 SER HA H 54 4.959 4.959 4.797 0.162 25819 4936 1 12 . 1 1 54 54 SER CA C 54 54.724 54.724 57.300 -2.576 25819 4937 1 12 . 1 1 54 54 SER CB C 54 64.417 64.417 65.406 -0.989 25819 4938 1 12 . 1 1 54 54 SER H H 54 8.650 8.650 8.559 0.091 25819 4939 1 12 . 1 1 55 55 ILE N N 55 123.973 123.973 124.635 -0.662 25819 4940 1 12 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.498 0.403 25819 4941 1 12 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.282 -1.414 25819 4942 1 12 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.787 0.631 25819 4943 1 12 . 1 1 55 55 ILE H H 55 9.082 9.082 8.487 0.595 25819 4944 1 12 . 1 1 56 56 SER N N 56 119.539 119.539 123.247 -3.708 25819 4945 1 12 . 1 1 56 56 SER HA H 56 4.387 4.387 4.727 -0.340 25819 4946 1 12 . 1 1 56 56 SER CA C 56 56.626 56.626 57.654 -1.028 25819 4947 1 12 . 1 1 56 56 SER CB C 56 63.106 63.106 65.274 -2.168 25819 4948 1 12 . 1 1 56 56 SER H H 56 7.905 7.905 8.347 -0.442 25819 4949 1 12 . 1 1 57 57 ASN N N 57 124.209 124.209 122.167 2.042 25819 4950 1 12 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.152 -0.133 25819 4951 1 12 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.552 -1.083 25819 4952 1 12 . 1 1 57 57 ASN CB C 57 40.090 40.090 40.720 -0.630 25819 4953 1 12 . 1 1 57 57 ASN H H 57 8.945 8.945 8.939 0.006 25819 4954 1 12 . 1 1 58 58 ALA N N 58 124.300 124.300 121.572 2.728 25819 4955 1 12 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.573 -0.440 25819 4956 1 12 . 1 1 58 58 ALA CA C 58 51.287 51.287 51.987 -0.700 25819 4957 1 12 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.954 -1.600 25819 4958 1 12 . 1 1 58 58 ALA H H 58 8.150 8.150 7.665 0.485 25819 4959 1 12 . 1 1 59 59 SER N N 59 113.299 113.299 114.448 -1.149 25819 4960 1 12 . 1 1 59 59 SER HA H 59 4.698 4.698 4.162 0.536 25819 4961 1 12 . 1 1 59 59 SER CA C 59 60.003 60.003 60.963 -0.960 25819 4962 1 12 . 1 1 59 59 SER CB C 59 62.574 62.574 63.346 -0.772 25819 4963 1 12 . 1 1 59 59 SER H H 59 8.377 8.377 8.518 -0.141 25819 4964 1 12 . 1 1 60 60 ASP N N 60 116.275 116.275 114.689 1.586 25819 4965 1 12 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.714 -0.052 25819 4966 1 12 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.855 -2.096 25819 4967 1 12 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.255 -1.543 25819 4968 1 12 . 1 1 60 60 ASP H H 60 8.311 8.311 8.206 0.105 25819 4969 1 12 . 1 1 61 61 SER N N 61 112.649 112.649 112.270 0.379 25819 4970 1 12 . 1 1 61 61 SER HA H 61 4.630 4.630 4.350 0.280 25819 4971 1 12 . 1 1 61 61 SER CA C 61 56.180 56.180 58.402 -2.222 25819 4972 1 12 . 1 1 61 61 SER CB C 61 61.843 61.843 63.368 -1.525 25819 4973 1 12 . 1 1 61 61 SER H H 61 7.588 7.588 7.444 0.144 25819 4974 1 12 . 1 1 62 62 HIS N N 62 119.790 119.790 121.965 -2.175 25819 4975 1 12 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.519 -0.472 25819 4976 1 12 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.310 0.609 25819 4977 1 12 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.970 -2.446 25819 4978 1 12 . 1 1 62 62 HIS H H 62 8.030 8.030 7.910 0.120 25819 4979 1 12 . 1 1 63 63 GLY N N 63 113.301 113.301 107.635 5.666 25819 4980 1 12 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.874 -1.221 25819 4981 1 12 . 1 1 63 63 GLY H H 63 8.733 8.733 8.393 0.340 25819 4982 1 12 . 1 1 64 64 LEU N N 64 120.664 120.664 115.634 5.030 25819 4983 1 12 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.602 -1.216 25819 4984 1 12 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.697 1.196 25819 4985 1 12 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.642 -4.179 25819 4986 1 12 . 1 1 64 64 LEU H H 64 7.679 7.679 9.030 -1.351 25819 4987 1 12 . 1 1 65 65 ALA N N 65 108.347 108.347 120.759 -12.412 25819 4988 1 12 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.635 0.767 25819 4989 1 12 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.761 -1.494 25819 4990 1 12 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.965 -0.410 25819 4991 1 12 . 1 1 65 65 ALA H H 65 9.874 9.874 8.749 1.125 25819 4992 1 12 . 1 1 66 66 SER N N 66 115.951 115.951 119.898 -3.947 25819 4993 1 12 . 1 1 66 66 SER HA H 66 4.909 4.909 5.373 -0.464 25819 4994 1 12 . 1 1 66 66 SER CA C 66 56.645 56.645 57.071 -0.426 25819 4995 1 12 . 1 1 66 66 SER CB C 66 63.823 63.823 64.872 -1.049 25819 4996 1 12 . 1 1 66 66 SER H H 66 8.938 8.938 8.714 0.224 25819 4997 1 12 . 1 1 67 67 THR N N 67 113.595 113.595 121.435 -7.840 25819 4998 1 12 . 1 1 67 67 THR HA H 67 4.649 4.649 4.646 0.003 25819 4999 1 12 . 1 1 67 67 THR CA C 67 59.216 59.216 61.070 -1.854 25819 5000 1 12 . 1 1 67 67 THR CB C 67 69.006 69.006 69.904 -0.898 25819 5001 1 12 . 1 1 67 67 THR H H 67 8.258 8.258 8.382 -0.124 25819 5002 1 12 . 1 1 68 68 LEU N N 68 124.152 124.152 124.157 -0.005 25819 5003 1 12 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.677 -0.321 25819 5004 1 12 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.325 0.787 25819 5005 1 12 . 1 1 68 68 LEU CB C 68 42.915 42.915 40.925 1.990 25819 5006 1 12 . 1 1 68 68 LEU H H 68 8.616 8.616 8.289 0.327 25819 5007 1 12 . 1 1 69 69 ASN N N 69 115.821 115.821 116.901 -1.080 25819 5008 1 12 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.943 -0.299 25819 5009 1 12 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.290 -0.834 25819 5010 1 12 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.564 1.742 25819 5011 1 12 . 1 1 69 69 ASN H H 69 7.965 7.965 7.533 0.432 25819 5012 1 12 . 1 1 70 70 GLN N N 70 114.564 114.564 115.950 -1.386 25819 5013 1 12 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.726 -0.801 25819 5014 1 12 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.540 0.697 25819 5015 1 12 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.562 0.444 25819 5016 1 12 . 1 1 70 70 GLN H H 70 8.287 8.287 8.491 -0.204 25819 5017 1 12 . 1 1 71 71 GLY N N 71 108.006 108.006 109.033 -1.027 25819 5018 1 12 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.132 -1.446 25819 5019 1 12 . 1 1 71 71 GLY H H 71 8.520 8.520 8.286 0.234 25819 5020 1 12 . 1 1 72 72 ASN N N 72 117.784 117.784 118.061 -0.277 25819 5021 1 12 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.968 0.505 25819 5022 1 12 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.292 -0.601 25819 5023 1 12 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.844 -0.948 25819 5024 1 12 . 1 1 72 72 ASN H H 72 8.420 8.420 8.435 -0.015 25819 5025 1 12 . 1 1 73 73 VAL N N 73 115.849 115.849 121.550 -5.701 25819 5026 1 12 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.340 0.191 25819 5027 1 12 . 1 1 73 73 VAL CA C 73 58.975 58.975 58.878 0.097 25819 5028 1 12 . 1 1 73 73 VAL CB C 73 35.179 35.179 36.345 -1.166 25819 5029 1 12 . 1 1 73 73 VAL H H 73 8.990 8.990 9.292 -0.302 25819 5030 1 12 . 1 1 74 74 LYS N N 74 123.196 123.196 126.173 -2.977 25819 5031 1 12 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.528 0.628 25819 5032 1 12 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.669 -0.788 25819 5033 1 12 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.510 0.087 25819 5034 1 12 . 1 1 74 74 LYS H H 74 8.716 8.716 8.496 0.220 25819 5035 1 12 . 1 1 75 75 VAL N N 75 129.522 129.522 128.869 0.653 25819 5036 1 12 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.785 -0.243 25819 5037 1 12 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.478 -0.662 25819 5038 1 12 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.205 0.278 25819 5039 1 12 . 1 1 75 75 VAL H H 75 8.975 8.975 8.240 0.735 25819 5040 1 12 . 1 1 76 76 THR N N 76 120.548 120.548 121.195 -0.647 25819 5041 1 12 . 1 1 76 76 THR HA H 76 5.066 5.066 4.720 0.346 25819 5042 1 12 . 1 1 76 76 THR CA C 76 59.783 59.783 60.126 -0.342 25819 5043 1 12 . 1 1 76 76 THR CB C 76 70.733 70.733 70.793 -0.060 25819 5044 1 12 . 1 1 76 76 THR H H 76 8.650 8.650 8.730 -0.080 25819 5045 1 12 . 1 1 77 77 ALA N N 77 126.454 126.454 126.559 -0.105 25819 5046 1 12 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.137 -0.757 25819 5047 1 12 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.588 -2.158 25819 5048 1 12 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.141 -1.597 25819 5049 1 12 . 1 1 77 77 ALA H H 77 8.674 8.674 8.389 0.285 25819 5050 1 12 . 1 1 78 78 SER N N 78 113.568 113.568 117.306 -3.738 25819 5051 1 12 . 1 1 78 78 SER HA H 78 5.376 5.376 4.907 0.469 25819 5052 1 12 . 1 1 78 78 SER CA C 78 56.077 56.077 58.441 -2.365 25819 5053 1 12 . 1 1 78 78 SER CB C 78 65.730 65.730 66.741 -1.011 25819 5054 1 12 . 1 1 78 78 SER H H 78 8.117 8.117 8.526 -0.409 25819 5055 1 12 . 1 1 79 79 ILE N N 79 121.071 121.071 123.402 -2.331 25819 5056 1 12 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.465 -0.324 25819 5057 1 12 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.194 0.930 25819 5058 1 12 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.491 -1.682 25819 5059 1 12 . 1 1 79 79 ILE H H 79 8.446 8.446 7.809 0.637 25819 5060 1 12 . 1 1 80 80 GLY N N 80 117.157 117.157 116.421 0.736 25819 5061 1 12 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.282 -0.277 25819 5062 1 12 . 1 1 80 80 GLY H H 80 8.899 8.899 8.555 0.344 25819 5063 1 12 . 1 1 81 81 GLY N N 81 110.715 110.715 111.455 -0.740 25819 5064 1 12 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.141 -0.763 25819 5065 1 12 . 1 1 81 81 GLY H H 81 8.742 8.742 7.944 0.798 25819 5066 1 12 . 1 1 82 82 ILE N N 82 124.113 124.113 122.636 1.477 25819 5067 1 12 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.058 0.142 25819 5068 1 12 . 1 1 82 82 ILE CA C 82 59.033 59.033 61.027 -1.994 25819 5069 1 12 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.121 -1.344 25819 5070 1 12 . 1 1 82 82 ILE H H 82 8.188 8.188 8.108 0.080 25819 5071 1 12 . 1 1 83 83 GLN N N 83 122.455 122.455 123.489 -1.034 25819 5072 1 12 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.609 0.785 25819 5073 1 12 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.197 -1.177 25819 5074 1 12 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.997 -0.482 25819 5075 1 12 . 1 1 83 83 GLN H H 83 8.423 8.423 8.196 0.227 25819 5076 1 12 . 1 1 84 84 GLY N N 84 111.437 111.437 107.400 4.037 25819 5077 1 12 . 1 1 84 84 GLY H H 84 8.931 8.931 9.015 -0.084 25819 5078 1 12 . 1 1 85 85 SER N N 85 113.878 113.878 114.295 -0.417 25819 5079 1 12 . 1 1 85 85 SER HA H 85 5.841 5.841 5.046 0.795 25819 5080 1 12 . 1 1 85 85 SER CA C 85 56.264 56.264 57.050 -0.786 25819 5081 1 12 . 1 1 85 85 SER CB C 85 66.946 66.946 66.681 0.265 25819 5082 1 12 . 1 1 85 85 SER H H 85 8.710 8.710 8.288 0.422 25819 5083 1 12 . 1 1 86 86 THR N N 86 115.389 115.389 115.549 -0.160 25819 5084 1 12 . 1 1 86 86 THR HA H 86 4.772 4.772 4.617 0.155 25819 5085 1 12 . 1 1 86 86 THR CA C 86 60.313 60.313 61.621 -1.308 25819 5086 1 12 . 1 1 86 86 THR CB C 86 69.852 69.852 71.330 -1.478 25819 5087 1 12 . 1 1 86 86 THR H H 86 8.854 8.854 8.641 0.213 25819 5088 1 12 . 1 1 87 87 ASP N N 87 124.623 124.623 122.346 2.277 25819 5089 1 12 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.902 0.534 25819 5090 1 12 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.507 0.289 25819 5091 1 12 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.044 -1.034 25819 5092 1 12 . 1 1 87 87 ASP H H 87 7.953 7.953 8.546 -0.593 25819 5093 1 12 . 1 1 88 88 PHE N N 88 123.574 123.574 126.151 -2.577 25819 5094 1 12 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.540 -0.609 25819 5095 1 12 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.005 0.963 25819 5096 1 12 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.851 -0.967 25819 5097 1 12 . 1 1 88 88 PHE H H 88 9.094 9.094 8.517 0.577 25819 5098 1 12 . 1 1 89 89 LYS N N 89 126.965 126.965 126.884 0.081 25819 5099 1 12 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.838 0.200 25819 5100 1 12 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.169 -1.280 25819 5101 1 12 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.737 -1.068 25819 5102 1 12 . 1 1 89 89 LYS H H 89 7.269 7.269 8.121 -0.852 25819 5103 1 12 . 1 1 90 90 VAL N N 90 126.148 126.148 129.105 -2.957 25819 5104 1 12 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.000 0.011 25819 5105 1 12 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.961 -0.414 25819 5106 1 12 . 1 1 90 90 VAL CB C 90 30.948 30.948 33.100 -2.152 25819 5107 1 12 . 1 1 90 90 VAL H H 90 9.086 9.086 8.290 0.796 25819 5108 1 12 . 1 1 91 91 THR N N 91 120.505 120.505 122.561 -2.056 25819 5109 1 12 . 1 1 91 91 THR HA H 91 4.568 4.568 4.667 -0.099 25819 5110 1 12 . 1 1 91 91 THR CA C 91 59.348 59.348 60.262 -0.914 25819 5111 1 12 . 1 1 91 91 THR CB C 91 68.970 68.970 71.368 -2.397 25819 5112 1 12 . 1 1 91 91 THR H H 91 8.757 8.757 8.623 0.134 25819 5113 1 13 . 1 1 2 2 PRO HA H 2 4.277 4.277 5.007 -0.730 25819 5114 1 13 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.712 -1.491 25819 5115 1 13 . 1 1 2 2 PRO CB C 2 31.416 31.416 33.325 -1.909 25819 5116 1 13 . 1 1 3 3 ALA N N 3 123.804 123.804 123.017 0.787 25819 5117 1 13 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.547 -0.341 25819 5118 1 13 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.157 0.238 25819 5119 1 13 . 1 1 3 3 ALA CB C 3 18.840 18.840 21.158 -2.318 25819 5120 1 13 . 1 1 3 3 ALA H H 3 8.647 8.647 8.147 0.500 25819 5121 1 13 . 1 1 4 4 ALA N N 4 124.058 124.058 123.209 0.849 25819 5122 1 13 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.857 -0.148 25819 5123 1 13 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.265 -1.243 25819 5124 1 13 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.559 -0.662 25819 5125 1 13 . 1 1 4 4 ALA H H 4 8.239 8.239 8.678 -0.439 25819 5126 1 13 . 1 1 5 5 LEU N N 5 124.018 124.018 123.758 0.260 25819 5127 1 13 . 1 1 5 5 LEU HA H 5 3.372 3.372 2.544 0.828 25819 5128 1 13 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.026 -1.018 25819 5129 1 13 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.063 -0.821 25819 5130 1 13 . 1 1 5 5 LEU H H 5 8.560 8.560 8.664 -0.104 25819 5131 1 13 . 1 1 6 6 VAL N N 6 123.357 123.357 117.880 5.477 25819 5132 1 13 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.143 -0.046 25819 5133 1 13 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.668 -0.328 25819 5134 1 13 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.865 -0.917 25819 5135 1 13 . 1 1 6 6 VAL H H 6 9.119 9.119 7.878 1.241 25819 5136 1 13 . 1 1 7 7 SER N N 7 112.137 112.137 114.011 -1.874 25819 5137 1 13 . 1 1 7 7 SER HA H 7 4.445 4.445 4.772 -0.327 25819 5138 1 13 . 1 1 7 7 SER CA C 7 56.349 56.349 58.035 -1.686 25819 5139 1 13 . 1 1 7 7 SER CB C 7 64.361 64.361 66.271 -1.910 25819 5140 1 13 . 1 1 7 7 SER H H 7 7.680 7.680 7.650 0.030 25819 5141 1 13 . 1 1 8 8 ILE N N 8 118.674 118.674 115.693 2.981 25819 5142 1 13 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.038 -0.365 25819 5143 1 13 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.644 -0.498 25819 5144 1 13 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.374 -0.701 25819 5145 1 13 . 1 1 8 8 ILE H H 8 8.354 8.354 8.251 0.103 25819 5146 1 13 . 1 1 9 9 SER N N 9 121.319 121.319 120.608 0.711 25819 5147 1 13 . 1 1 9 9 SER HA H 9 4.863 4.863 4.899 -0.036 25819 5148 1 13 . 1 1 9 9 SER CA C 9 55.381 55.381 57.539 -2.158 25819 5149 1 13 . 1 1 9 9 SER CB C 9 64.243 64.243 63.342 0.901 25819 5150 1 13 . 1 1 9 9 SER H H 9 9.028 9.028 8.659 0.369 25819 5151 1 13 . 1 1 10 10 VAL N N 10 127.509 127.509 121.000 6.509 25819 5152 1 13 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.621 0.429 25819 5153 1 13 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.466 1.446 25819 5154 1 13 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.118 -0.731 25819 5155 1 13 . 1 1 10 10 VAL H H 10 8.911 8.911 8.559 0.352 25819 5156 1 13 . 1 1 11 11 SER N N 11 121.860 121.860 121.619 0.241 25819 5157 1 13 . 1 1 11 11 SER CB C 11 64.373 64.373 62.987 1.386 25819 5158 1 13 . 1 1 11 11 SER H H 11 9.206 9.206 8.346 0.860 25819 5159 1 13 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.671 0.033 25819 5160 1 13 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.877 -1.978 25819 5161 1 13 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.407 1.681 25819 5162 1 13 . 1 1 13 13 THR N N 13 116.137 116.137 118.554 -2.417 25819 5163 1 13 . 1 1 13 13 THR HA H 13 4.770 4.770 4.562 0.208 25819 5164 1 13 . 1 1 13 13 THR CA C 13 60.153 60.153 61.794 -1.641 25819 5165 1 13 . 1 1 13 13 THR CB C 13 69.426 69.426 70.252 -0.826 25819 5166 1 13 . 1 1 13 13 THR H H 13 8.679 8.679 8.565 0.114 25819 5167 1 13 . 1 1 14 14 ASN N N 14 124.457 124.457 125.581 -1.124 25819 5168 1 13 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.220 -0.525 25819 5169 1 13 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.105 1.023 25819 5170 1 13 . 1 1 14 14 ASN CB C 14 36.593 36.593 37.559 -0.966 25819 5171 1 13 . 1 1 14 14 ASN H H 14 8.710 8.710 8.967 -0.257 25819 5172 1 13 . 1 1 15 15 SER N N 15 113.673 113.673 116.352 -2.679 25819 5173 1 13 . 1 1 15 15 SER HA H 15 4.648 4.648 4.748 -0.100 25819 5174 1 13 . 1 1 15 15 SER CA C 15 55.644 55.644 57.498 -1.854 25819 5175 1 13 . 1 1 15 15 SER CB C 15 63.953 63.953 65.447 -1.494 25819 5176 1 13 . 1 1 15 15 SER H H 15 9.127 9.127 7.732 1.395 25819 5177 1 13 . 1 1 16 16 THR N N 16 113.579 113.579 115.061 -1.482 25819 5178 1 13 . 1 1 16 16 THR HA H 16 4.976 4.976 5.009 -0.033 25819 5179 1 13 . 1 1 16 16 THR CA C 16 58.445 58.445 60.842 -2.397 25819 5180 1 13 . 1 1 16 16 THR CB C 16 70.534 70.534 70.376 0.158 25819 5181 1 13 . 1 1 16 16 THR H H 16 7.962 7.962 8.277 -0.315 25819 5182 1 13 . 1 1 17 17 VAL N N 17 121.479 121.479 123.330 -1.851 25819 5183 1 13 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.467 -0.147 25819 5184 1 13 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.717 0.220 25819 5185 1 13 . 1 1 17 17 VAL CB C 17 35.404 35.404 36.006 -0.602 25819 5186 1 13 . 1 1 17 17 VAL H H 17 7.969 7.969 9.048 -1.079 25819 5187 1 13 . 1 1 18 18 ALA N N 18 126.014 126.014 127.902 -1.888 25819 5188 1 13 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.288 -0.113 25819 5189 1 13 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.151 -1.188 25819 5190 1 13 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.241 -0.319 25819 5191 1 13 . 1 1 18 18 ALA H H 18 7.756 7.756 8.172 -0.416 25819 5192 1 13 . 1 1 19 19 LYS N N 19 119.741 119.741 122.422 -2.681 25819 5193 1 13 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.193 -0.706 25819 5194 1 13 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.391 0.381 25819 5195 1 13 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.779 -1.177 25819 5196 1 13 . 1 1 19 19 LYS H H 19 7.892 7.892 8.206 -0.314 25819 5197 1 13 . 1 1 20 20 GLY N N 20 116.709 116.709 111.688 5.021 25819 5198 1 13 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.758 -1.995 25819 5199 1 13 . 1 1 20 20 GLY H H 20 8.615 8.615 8.592 0.023 25819 5200 1 13 . 1 1 21 21 LEU N N 21 123.004 123.004 123.415 -0.411 25819 5201 1 13 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.628 -0.040 25819 5202 1 13 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.068 -0.703 25819 5203 1 13 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.910 -4.947 25819 5204 1 13 . 1 1 21 21 LEU H H 21 8.013 8.013 7.807 0.206 25819 5205 1 13 . 1 1 22 22 GLN N N 22 117.503 117.503 117.572 -0.069 25819 5206 1 13 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.037 0.091 25819 5207 1 13 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.724 -1.055 25819 5208 1 13 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.116 -1.202 25819 5209 1 13 . 1 1 22 22 GLN H H 22 8.223 8.223 8.208 0.015 25819 5210 1 13 . 1 1 23 23 GLU N N 23 118.126 118.126 123.126 -5.000 25819 5211 1 13 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.621 -0.058 25819 5212 1 13 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.050 -2.183 25819 5213 1 13 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.745 0.129 25819 5214 1 13 . 1 1 23 23 GLU H H 23 8.188 8.188 8.652 -0.465 25819 5215 1 13 . 1 1 24 24 ASN N N 24 125.841 125.841 124.630 1.211 25819 5216 1 13 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.287 -0.509 25819 5217 1 13 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.533 -1.022 25819 5218 1 13 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.801 -0.056 25819 5219 1 13 . 1 1 24 24 ASN H H 24 9.390 9.390 8.760 0.630 25819 5220 1 13 . 1 1 25 25 PHE N N 25 122.824 122.824 122.135 0.689 25819 5221 1 13 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.906 -0.255 25819 5222 1 13 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.495 -0.372 25819 5223 1 13 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.045 -3.986 25819 5224 1 13 . 1 1 25 25 PHE H H 25 8.061 8.061 8.889 -0.828 25819 5225 1 13 . 1 1 26 26 LYS N N 26 119.114 119.114 124.844 -5.730 25819 5226 1 13 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.295 0.949 25819 5227 1 13 . 1 1 26 26 LYS CA C 26 52.976 52.976 54.864 -1.888 25819 5228 1 13 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.395 -1.734 25819 5229 1 13 . 1 1 26 26 LYS H H 26 9.255 9.255 7.709 1.546 25819 5230 1 13 . 1 1 27 27 ALA N N 27 125.583 125.583 124.705 0.878 25819 5231 1 13 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.144 0.118 25819 5232 1 13 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.098 -1.281 25819 5233 1 13 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.825 -0.665 25819 5234 1 13 . 1 1 27 27 ALA H H 27 9.120 9.120 8.313 0.807 25819 5235 1 13 . 1 1 28 28 THR HA H 28 4.837 4.837 4.539 0.298 25819 5236 1 13 . 1 1 28 28 THR CA C 28 60.566 60.566 61.565 -0.998 25819 5237 1 13 . 1 1 28 28 THR CB C 28 69.478 69.478 69.634 -0.156 25819 5238 1 13 . 1 1 28 28 THR H H 28 9.062 9.062 8.588 0.474 25819 5239 1 13 . 1 1 29 29 GLY N N 29 115.789 115.789 113.559 2.230 25819 5240 1 13 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.025 0.291 25819 5241 1 13 . 1 1 29 29 GLY H H 29 9.662 9.662 9.091 0.571 25819 5242 1 13 . 1 1 30 30 ILE N N 30 123.084 123.084 125.034 -1.950 25819 5243 1 13 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.445 0.333 25819 5244 1 13 . 1 1 30 30 ILE CA C 30 59.388 59.388 61.017 -1.629 25819 5245 1 13 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.633 -3.750 25819 5246 1 13 . 1 1 30 30 ILE H H 30 7.914 7.914 8.607 -0.693 25819 5247 1 13 . 1 1 31 31 PHE N N 31 125.209 125.209 126.740 -1.531 25819 5248 1 13 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.916 0.454 25819 5249 1 13 . 1 1 31 31 PHE CA C 31 56.487 56.487 57.452 -0.965 25819 5250 1 13 . 1 1 31 31 PHE CB C 31 41.153 41.153 43.330 -2.177 25819 5251 1 13 . 1 1 31 31 PHE H H 31 8.316 8.316 9.022 -0.706 25819 5252 1 13 . 1 1 32 32 THR N N 32 113.842 113.842 116.361 -2.519 25819 5253 1 13 . 1 1 32 32 THR HA H 32 4.404 4.404 4.188 0.216 25819 5254 1 13 . 1 1 32 32 THR CA C 32 64.157 64.157 65.022 -0.865 25819 5255 1 13 . 1 1 32 32 THR CB C 32 68.540 68.540 68.976 -0.436 25819 5256 1 13 . 1 1 32 32 THR H H 32 9.335 9.335 8.878 0.457 25819 5257 1 13 . 1 1 33 33 ASP N N 33 118.799 118.799 118.366 0.433 25819 5258 1 13 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.788 -0.167 25819 5259 1 13 . 1 1 33 33 ASP CA C 33 51.963 51.963 54.896 -2.933 25819 5260 1 13 . 1 1 33 33 ASP CB C 33 38.494 38.494 41.408 -2.914 25819 5261 1 13 . 1 1 33 33 ASP H H 33 7.689 7.689 8.599 -0.910 25819 5262 1 13 . 1 1 34 34 ASN N N 34 112.993 112.993 116.673 -3.680 25819 5263 1 13 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.890 -0.542 25819 5264 1 13 . 1 1 34 34 ASN CA C 34 54.346 54.346 53.062 1.284 25819 5265 1 13 . 1 1 34 34 ASN CB C 34 36.490 36.490 40.437 -3.947 25819 5266 1 13 . 1 1 34 34 ASN H H 34 8.370 8.370 7.564 0.806 25819 5267 1 13 . 1 1 35 35 SER N N 35 115.543 115.543 115.382 0.161 25819 5268 1 13 . 1 1 35 35 SER HA H 35 4.413 4.413 4.029 0.384 25819 5269 1 13 . 1 1 35 35 SER CA C 35 57.882 57.882 61.296 -3.414 25819 5270 1 13 . 1 1 35 35 SER CB C 35 63.770 63.770 62.581 1.189 25819 5271 1 13 . 1 1 35 35 SER H H 35 7.990 7.990 8.616 -0.626 25819 5272 1 13 . 1 1 36 36 ASN N N 36 116.051 116.051 119.989 -3.938 25819 5273 1 13 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.317 -2.643 25819 5274 1 13 . 1 1 36 36 ASN CB C 36 41.799 41.799 41.675 0.124 25819 5275 1 13 . 1 1 36 36 ASN H H 36 8.518 8.518 8.380 0.138 25819 5276 1 13 . 1 1 37 37 SER N N 37 113.191 113.191 118.938 -5.747 25819 5277 1 13 . 1 1 37 37 SER HA H 37 4.715 4.715 4.800 -0.085 25819 5278 1 13 . 1 1 37 37 SER CA C 37 56.801 56.801 57.370 -0.569 25819 5279 1 13 . 1 1 37 37 SER CB C 37 64.872 64.872 65.945 -1.073 25819 5280 1 13 . 1 1 37 37 SER H H 37 8.667 8.667 9.108 -0.441 25819 5281 1 13 . 1 1 38 38 ASP N N 38 123.961 123.961 123.948 0.013 25819 5282 1 13 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.768 0.219 25819 5283 1 13 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.507 0.695 25819 5284 1 13 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.005 -1.076 25819 5285 1 13 . 1 1 38 38 ASP H H 38 8.848 8.848 8.671 0.177 25819 5286 1 13 . 1 1 39 39 ILE N N 39 121.217 121.217 115.207 6.010 25819 5287 1 13 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.759 1.112 25819 5288 1 13 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.365 -2.658 25819 5289 1 13 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.474 1.612 25819 5290 1 13 . 1 1 39 39 ILE H H 39 8.815 8.815 8.103 0.712 25819 5291 1 13 . 1 1 40 40 THR N N 40 122.868 122.868 115.694 7.174 25819 5292 1 13 . 1 1 40 40 THR HA H 40 4.288 4.288 4.094 0.194 25819 5293 1 13 . 1 1 40 40 THR CB C 40 68.527 68.527 68.673 -0.146 25819 5294 1 13 . 1 1 40 40 THR H H 40 8.679 8.679 8.320 0.359 25819 5295 1 13 . 1 1 41 41 ASP N N 41 114.082 114.082 118.998 -4.916 25819 5296 1 13 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.752 -1.054 25819 5297 1 13 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.166 -0.688 25819 5298 1 13 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.779 -2.061 25819 5299 1 13 . 1 1 41 41 ASP H H 41 8.539 8.539 8.395 0.144 25819 5300 1 13 . 1 1 42 42 GLN N N 42 117.086 117.086 117.439 -0.353 25819 5301 1 13 . 1 1 42 42 GLN HA H 42 4.151 4.151 3.998 0.153 25819 5302 1 13 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.939 -0.403 25819 5303 1 13 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.005 3.211 25819 5304 1 13 . 1 1 42 42 GLN H H 42 7.718 7.718 7.471 0.247 25819 5305 1 13 . 1 1 43 43 VAL N N 43 109.916 109.916 121.217 -11.301 25819 5306 1 13 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.165 -0.076 25819 5307 1 13 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.277 -4.437 25819 5308 1 13 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.515 -1.242 25819 5309 1 13 . 1 1 43 43 VAL H H 43 6.902 6.902 8.421 -1.519 25819 5310 1 13 . 1 1 44 44 THR N N 44 116.273 116.273 125.176 -8.903 25819 5311 1 13 . 1 1 44 44 THR HA H 44 4.315 4.315 4.455 -0.140 25819 5312 1 13 . 1 1 44 44 THR CA C 44 61.651 61.651 62.190 -0.539 25819 5313 1 13 . 1 1 44 44 THR CB C 44 68.890 68.890 68.828 0.062 25819 5314 1 13 . 1 1 44 44 THR H H 44 8.787 8.787 8.772 0.015 25819 5315 1 13 . 1 1 45 45 TRP N N 45 132.098 132.098 125.728 6.370 25819 5316 1 13 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.110 0.135 25819 5317 1 13 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.966 0.421 25819 5318 1 13 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.914 -0.837 25819 5319 1 13 . 1 1 45 45 TRP H H 45 10.351 10.351 8.151 2.200 25819 5320 1 13 . 1 1 46 46 ASP N N 46 121.897 121.897 122.830 -0.933 25819 5321 1 13 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.031 -0.174 25819 5322 1 13 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.572 -0.775 25819 5323 1 13 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.004 0.071 25819 5324 1 13 . 1 1 46 46 ASP H H 46 9.471 9.471 8.463 1.008 25819 5325 1 13 . 1 1 47 47 SER N N 47 113.803 113.803 118.678 -4.875 25819 5326 1 13 . 1 1 47 47 SER HA H 47 5.043 5.043 5.256 -0.213 25819 5327 1 13 . 1 1 47 47 SER CA C 47 53.059 53.059 57.330 -4.271 25819 5328 1 13 . 1 1 47 47 SER CB C 47 64.880 64.880 66.892 -2.012 25819 5329 1 13 . 1 1 47 47 SER H H 47 8.502 8.502 8.520 -0.018 25819 5330 1 13 . 1 1 48 48 SER N N 48 119.614 119.614 118.319 1.295 25819 5331 1 13 . 1 1 48 48 SER HA H 48 4.264 4.264 4.266 -0.002 25819 5332 1 13 . 1 1 48 48 SER CA C 48 59.404 59.404 60.226 -0.822 25819 5333 1 13 . 1 1 48 48 SER CB C 48 62.026 62.026 63.300 -1.274 25819 5334 1 13 . 1 1 48 48 SER H H 48 8.517 8.517 8.523 -0.006 25819 5335 1 13 . 1 1 49 49 ASN N N 49 118.259 118.259 116.718 1.541 25819 5336 1 13 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.579 0.319 25819 5337 1 13 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.330 -1.489 25819 5338 1 13 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.615 -0.895 25819 5339 1 13 . 1 1 49 49 ASN H H 49 7.816 7.816 8.256 -0.440 25819 5340 1 13 . 1 1 50 50 THR N N 50 119.289 119.289 114.949 4.340 25819 5341 1 13 . 1 1 50 50 THR HA H 50 4.541 4.541 4.507 0.034 25819 5342 1 13 . 1 1 50 50 THR CA C 50 62.137 62.137 63.002 -0.865 25819 5343 1 13 . 1 1 50 50 THR CB C 50 67.100 67.100 69.931 -2.831 25819 5344 1 13 . 1 1 50 50 THR H H 50 9.049 9.049 8.407 0.642 25819 5345 1 13 . 1 1 51 51 ASP N N 51 118.825 118.825 119.669 -0.844 25819 5346 1 13 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.792 -0.206 25819 5347 1 13 . 1 1 51 51 ASP CA C 51 54.690 54.690 55.370 -0.680 25819 5348 1 13 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.442 -2.784 25819 5349 1 13 . 1 1 51 51 ASP H H 51 8.251 8.251 8.427 -0.176 25819 5350 1 13 . 1 1 52 52 ILE N N 52 118.411 118.411 119.575 -1.164 25819 5351 1 13 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.274 -0.349 25819 5352 1 13 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.679 0.002 25819 5353 1 13 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.855 0.042 25819 5354 1 13 . 1 1 52 52 ILE H H 52 7.169 7.169 7.715 -0.546 25819 5355 1 13 . 1 1 53 53 LEU N N 53 120.128 120.128 123.617 -3.489 25819 5356 1 13 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.318 -0.297 25819 5357 1 13 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.810 -0.529 25819 5358 1 13 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.541 0.864 25819 5359 1 13 . 1 1 53 53 LEU H H 53 7.876 7.876 7.815 0.061 25819 5360 1 13 . 1 1 54 54 SER N N 54 122.251 122.251 116.709 5.542 25819 5361 1 13 . 1 1 54 54 SER HA H 54 4.959 4.959 4.915 0.044 25819 5362 1 13 . 1 1 54 54 SER CA C 54 54.724 54.724 57.280 -2.556 25819 5363 1 13 . 1 1 54 54 SER CB C 54 64.417 64.417 65.808 -1.391 25819 5364 1 13 . 1 1 54 54 SER H H 54 8.650 8.650 8.686 -0.036 25819 5365 1 13 . 1 1 55 55 ILE N N 55 123.973 123.973 126.092 -2.119 25819 5366 1 13 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.545 0.356 25819 5367 1 13 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.119 -1.251 25819 5368 1 13 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.467 0.951 25819 5369 1 13 . 1 1 55 55 ILE H H 55 9.082 9.082 8.580 0.502 25819 5370 1 13 . 1 1 56 56 SER N N 56 119.539 119.539 122.647 -3.108 25819 5371 1 13 . 1 1 56 56 SER HA H 56 4.387 4.387 4.016 0.371 25819 5372 1 13 . 1 1 56 56 SER CA C 56 56.626 56.626 57.063 -0.437 25819 5373 1 13 . 1 1 56 56 SER CB C 56 63.106 63.106 65.032 -1.926 25819 5374 1 13 . 1 1 56 56 SER H H 56 7.905 7.905 8.516 -0.611 25819 5375 1 13 . 1 1 57 57 ASN N N 57 124.209 124.209 123.821 0.388 25819 5376 1 13 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.837 0.182 25819 5377 1 13 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.232 -0.763 25819 5378 1 13 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.166 0.924 25819 5379 1 13 . 1 1 57 57 ASN H H 57 8.945 8.945 8.369 0.576 25819 5380 1 13 . 1 1 58 58 ALA N N 58 124.300 124.300 126.582 -2.282 25819 5381 1 13 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.442 -0.309 25819 5382 1 13 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.712 -1.425 25819 5383 1 13 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.971 -0.617 25819 5384 1 13 . 1 1 58 58 ALA H H 58 8.150 8.150 8.162 -0.012 25819 5385 1 13 . 1 1 59 59 SER N N 59 113.299 113.299 115.123 -1.824 25819 5386 1 13 . 1 1 59 59 SER HA H 59 4.698 4.698 4.228 0.470 25819 5387 1 13 . 1 1 59 59 SER CA C 59 60.003 60.003 60.846 -0.843 25819 5388 1 13 . 1 1 59 59 SER CB C 59 62.574 62.574 63.187 -0.613 25819 5389 1 13 . 1 1 59 59 SER H H 59 8.377 8.377 8.295 0.082 25819 5390 1 13 . 1 1 60 60 ASP N N 60 116.275 116.275 119.036 -2.761 25819 5391 1 13 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.646 0.016 25819 5392 1 13 . 1 1 60 60 ASP CA C 60 52.759 52.759 55.023 -2.264 25819 5393 1 13 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.876 -2.164 25819 5394 1 13 . 1 1 60 60 ASP H H 60 8.311 8.311 8.146 0.165 25819 5395 1 13 . 1 1 61 61 SER N N 61 112.649 112.649 113.662 -1.013 25819 5396 1 13 . 1 1 61 61 SER HA H 61 4.630 4.630 4.406 0.224 25819 5397 1 13 . 1 1 61 61 SER CA C 61 56.180 56.180 58.468 -2.288 25819 5398 1 13 . 1 1 61 61 SER CB C 61 61.843 61.843 63.074 -1.231 25819 5399 1 13 . 1 1 61 61 SER H H 61 7.588 7.588 8.180 -0.592 25819 5400 1 13 . 1 1 62 62 HIS N N 62 119.790 119.790 124.388 -4.598 25819 5401 1 13 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.524 -0.476 25819 5402 1 13 . 1 1 62 62 HIS CA C 62 56.919 56.919 57.840 -0.921 25819 5403 1 13 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.811 -3.287 25819 5404 1 13 . 1 1 62 62 HIS H H 62 8.030 8.030 8.231 -0.201 25819 5405 1 13 . 1 1 63 63 GLY N N 63 113.301 113.301 109.642 3.659 25819 5406 1 13 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.822 -1.169 25819 5407 1 13 . 1 1 63 63 GLY H H 63 8.733 8.733 8.312 0.421 25819 5408 1 13 . 1 1 64 64 LEU N N 64 120.664 120.664 123.410 -2.746 25819 5409 1 13 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.031 -0.645 25819 5410 1 13 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.698 0.195 25819 5411 1 13 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.786 -4.323 25819 5412 1 13 . 1 1 64 64 LEU H H 64 7.679 7.679 7.720 -0.041 25819 5413 1 13 . 1 1 65 65 ALA N N 65 108.347 108.347 125.429 -17.082 25819 5414 1 13 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.749 0.653 25819 5415 1 13 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.340 -1.073 25819 5416 1 13 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.064 0.491 25819 5417 1 13 . 1 1 65 65 ALA H H 65 9.874 9.874 8.894 0.980 25819 5418 1 13 . 1 1 66 66 SER N N 66 115.951 115.951 120.380 -4.429 25819 5419 1 13 . 1 1 66 66 SER HA H 66 4.909 4.909 5.256 -0.347 25819 5420 1 13 . 1 1 66 66 SER CA C 66 56.645 56.645 56.681 -0.036 25819 5421 1 13 . 1 1 66 66 SER CB C 66 63.823 63.823 64.726 -0.903 25819 5422 1 13 . 1 1 66 66 SER H H 66 8.938 8.938 8.688 0.250 25819 5423 1 13 . 1 1 67 67 THR N N 67 113.595 113.595 120.890 -7.295 25819 5424 1 13 . 1 1 67 67 THR HA H 67 4.649 4.649 4.798 -0.149 25819 5425 1 13 . 1 1 67 67 THR CA C 67 59.216 59.216 60.472 -1.256 25819 5426 1 13 . 1 1 67 67 THR CB C 67 69.006 69.006 70.540 -1.534 25819 5427 1 13 . 1 1 67 67 THR H H 67 8.258 8.258 8.235 0.023 25819 5428 1 13 . 1 1 68 68 LEU N N 68 124.152 124.152 125.583 -1.431 25819 5429 1 13 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.728 -0.372 25819 5430 1 13 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.250 0.862 25819 5431 1 13 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.716 1.199 25819 5432 1 13 . 1 1 68 68 LEU H H 68 8.616 8.616 8.402 0.214 25819 5433 1 13 . 1 1 69 69 ASN N N 69 115.821 115.821 118.047 -2.226 25819 5434 1 13 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.938 -0.294 25819 5435 1 13 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.156 -0.700 25819 5436 1 13 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.803 1.503 25819 5437 1 13 . 1 1 69 69 ASN H H 69 7.965 7.965 7.692 0.273 25819 5438 1 13 . 1 1 70 70 GLN N N 70 114.564 114.564 115.754 -1.190 25819 5439 1 13 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.750 -0.825 25819 5440 1 13 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.950 0.287 25819 5441 1 13 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.957 0.049 25819 5442 1 13 . 1 1 70 70 GLN H H 70 8.287 8.287 8.622 -0.335 25819 5443 1 13 . 1 1 71 71 GLY N N 71 108.006 108.006 109.247 -1.241 25819 5444 1 13 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.226 -0.540 25819 5445 1 13 . 1 1 71 71 GLY H H 71 8.520 8.520 8.509 0.011 25819 5446 1 13 . 1 1 72 72 ASN N N 72 117.784 117.784 117.104 0.680 25819 5447 1 13 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.870 0.603 25819 5448 1 13 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.255 -0.564 25819 5449 1 13 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.007 -1.111 25819 5450 1 13 . 1 1 72 72 ASN H H 72 8.420 8.420 8.402 0.018 25819 5451 1 13 . 1 1 73 73 VAL N N 73 115.849 115.849 118.243 -2.394 25819 5452 1 13 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.230 0.301 25819 5453 1 13 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.532 -0.557 25819 5454 1 13 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.992 0.187 25819 5455 1 13 . 1 1 73 73 VAL H H 73 8.990 8.990 8.154 0.836 25819 5456 1 13 . 1 1 74 74 LYS N N 74 123.196 123.196 123.597 -0.401 25819 5457 1 13 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.612 0.544 25819 5458 1 13 . 1 1 74 74 LYS CA C 74 53.881 53.881 55.061 -1.180 25819 5459 1 13 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.602 -0.005 25819 5460 1 13 . 1 1 74 74 LYS H H 74 8.716 8.716 8.489 0.227 25819 5461 1 13 . 1 1 75 75 VAL N N 75 129.522 129.522 128.634 0.888 25819 5462 1 13 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.990 -0.448 25819 5463 1 13 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.133 -0.317 25819 5464 1 13 . 1 1 75 75 VAL CB C 75 32.483 32.483 34.140 -1.657 25819 5465 1 13 . 1 1 75 75 VAL H H 75 8.975 8.975 9.179 -0.204 25819 5466 1 13 . 1 1 76 76 THR N N 76 120.548 120.548 121.599 -1.051 25819 5467 1 13 . 1 1 76 76 THR HA H 76 5.066 5.066 4.645 0.421 25819 5468 1 13 . 1 1 76 76 THR CA C 76 59.783 59.783 60.593 -0.809 25819 5469 1 13 . 1 1 76 76 THR CB C 76 70.733 70.733 70.988 -0.255 25819 5470 1 13 . 1 1 76 76 THR H H 76 8.650 8.650 8.938 -0.288 25819 5471 1 13 . 1 1 77 77 ALA N N 77 126.454 126.454 127.121 -0.667 25819 5472 1 13 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.625 -1.245 25819 5473 1 13 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.107 -1.677 25819 5474 1 13 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.737 -2.193 25819 5475 1 13 . 1 1 77 77 ALA H H 77 8.674 8.674 8.179 0.495 25819 5476 1 13 . 1 1 78 78 SER N N 78 113.568 113.568 117.744 -4.176 25819 5477 1 13 . 1 1 78 78 SER HA H 78 5.376 5.376 4.980 0.396 25819 5478 1 13 . 1 1 78 78 SER CA C 78 56.077 56.077 57.528 -1.451 25819 5479 1 13 . 1 1 78 78 SER CB C 78 65.730 65.730 65.952 -0.222 25819 5480 1 13 . 1 1 78 78 SER H H 78 8.117 8.117 8.263 -0.146 25819 5481 1 13 . 1 1 79 79 ILE N N 79 121.071 121.071 125.746 -4.675 25819 5482 1 13 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.549 -0.408 25819 5483 1 13 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.432 0.692 25819 5484 1 13 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.835 -2.026 25819 5485 1 13 . 1 1 79 79 ILE H H 79 8.446 8.446 7.816 0.630 25819 5486 1 13 . 1 1 80 80 GLY N N 80 117.157 117.157 116.715 0.442 25819 5487 1 13 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.607 -0.601 25819 5488 1 13 . 1 1 80 80 GLY H H 80 8.899 8.899 8.973 -0.074 25819 5489 1 13 . 1 1 81 81 GLY N N 81 110.715 110.715 110.392 0.323 25819 5490 1 13 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.008 -0.631 25819 5491 1 13 . 1 1 81 81 GLY H H 81 8.742 8.742 8.107 0.635 25819 5492 1 13 . 1 1 82 82 ILE N N 82 124.113 124.113 122.603 1.510 25819 5493 1 13 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.122 0.078 25819 5494 1 13 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.641 -1.608 25819 5495 1 13 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.229 -1.452 25819 5496 1 13 . 1 1 82 82 ILE H H 82 8.188 8.188 8.027 0.161 25819 5497 1 13 . 1 1 83 83 GLN N N 83 122.455 122.455 123.272 -0.817 25819 5498 1 13 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.642 0.753 25819 5499 1 13 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.159 -1.139 25819 5500 1 13 . 1 1 83 83 GLN CB C 83 32.515 32.515 33.028 -0.513 25819 5501 1 13 . 1 1 83 83 GLN H H 83 8.423 8.423 8.191 0.232 25819 5502 1 13 . 1 1 84 84 GLY N N 84 111.437 111.437 107.679 3.758 25819 5503 1 13 . 1 1 84 84 GLY H H 84 8.931 8.931 8.983 -0.052 25819 5504 1 13 . 1 1 85 85 SER N N 85 113.878 113.878 114.393 -0.515 25819 5505 1 13 . 1 1 85 85 SER HA H 85 5.841 5.841 4.757 1.084 25819 5506 1 13 . 1 1 85 85 SER CA C 85 56.264 56.264 57.588 -1.324 25819 5507 1 13 . 1 1 85 85 SER CB C 85 66.946 66.946 66.675 0.271 25819 5508 1 13 . 1 1 85 85 SER H H 85 8.710 8.710 8.236 0.474 25819 5509 1 13 . 1 1 86 86 THR N N 86 115.389 115.389 116.771 -1.382 25819 5510 1 13 . 1 1 86 86 THR HA H 86 4.772 4.772 4.552 0.220 25819 5511 1 13 . 1 1 86 86 THR CA C 86 60.313 60.313 62.019 -1.706 25819 5512 1 13 . 1 1 86 86 THR CB C 86 69.852 69.852 72.008 -2.156 25819 5513 1 13 . 1 1 86 86 THR H H 86 8.854 8.854 8.997 -0.143 25819 5514 1 13 . 1 1 87 87 ASP N N 87 124.623 124.623 126.630 -2.007 25819 5515 1 13 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.991 0.445 25819 5516 1 13 . 1 1 87 87 ASP CA C 87 53.796 53.796 52.975 0.821 25819 5517 1 13 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.343 -1.333 25819 5518 1 13 . 1 1 87 87 ASP H H 87 7.953 7.953 8.598 -0.645 25819 5519 1 13 . 1 1 88 88 PHE N N 88 123.574 123.574 122.418 1.156 25819 5520 1 13 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.834 -0.903 25819 5521 1 13 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.349 1.619 25819 5522 1 13 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.876 0.008 25819 5523 1 13 . 1 1 88 88 PHE H H 88 9.094 9.094 8.149 0.945 25819 5524 1 13 . 1 1 89 89 LYS N N 89 126.965 126.965 124.895 2.070 25819 5525 1 13 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.495 0.543 25819 5526 1 13 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.037 -1.148 25819 5527 1 13 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.620 -0.951 25819 5528 1 13 . 1 1 89 89 LYS H H 89 7.269 7.269 8.436 -1.167 25819 5529 1 13 . 1 1 90 90 VAL N N 90 126.148 126.148 129.258 -3.110 25819 5530 1 13 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.344 -0.333 25819 5531 1 13 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.068 0.479 25819 5532 1 13 . 1 1 90 90 VAL CB C 90 30.948 30.948 34.376 -3.428 25819 5533 1 13 . 1 1 90 90 VAL H H 90 9.086 9.086 8.713 0.373 25819 5534 1 13 . 1 1 91 91 THR N N 91 120.505 120.505 123.315 -2.810 25819 5535 1 13 . 1 1 91 91 THR HA H 91 4.568 4.568 4.682 -0.114 25819 5536 1 13 . 1 1 91 91 THR CA C 91 59.348 59.348 61.423 -2.075 25819 5537 1 13 . 1 1 91 91 THR CB C 91 68.970 68.970 70.456 -1.486 25819 5538 1 13 . 1 1 91 91 THR H H 91 8.757 8.757 8.070 0.687 25819 5539 1 14 . 1 1 2 2 PRO HA H 2 4.277 4.277 5.073 -0.796 25819 5540 1 14 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.823 -1.602 25819 5541 1 14 . 1 1 2 2 PRO CB C 2 31.416 31.416 33.184 -1.768 25819 5542 1 14 . 1 1 3 3 ALA N N 3 123.804 123.804 122.888 0.916 25819 5543 1 14 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.317 -0.111 25819 5544 1 14 . 1 1 3 3 ALA CA C 3 51.395 51.395 50.970 0.425 25819 5545 1 14 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.799 -1.960 25819 5546 1 14 . 1 1 3 3 ALA H H 3 8.647 8.647 7.928 0.719 25819 5547 1 14 . 1 1 4 4 ALA N N 4 124.058 124.058 122.421 1.637 25819 5548 1 14 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.711 -0.002 25819 5549 1 14 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.040 -1.018 25819 5550 1 14 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.796 -0.899 25819 5551 1 14 . 1 1 4 4 ALA H H 4 8.239 8.239 8.301 -0.062 25819 5552 1 14 . 1 1 5 5 LEU N N 5 124.018 124.018 123.610 0.408 25819 5553 1 14 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.421 -1.049 25819 5554 1 14 . 1 1 5 5 LEU CA C 5 55.008 55.008 57.064 -2.056 25819 5555 1 14 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.098 -0.856 25819 5556 1 14 . 1 1 5 5 LEU H H 5 8.560 8.560 8.817 -0.257 25819 5557 1 14 . 1 1 6 6 VAL N N 6 123.357 123.357 121.807 1.550 25819 5558 1 14 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.180 -0.083 25819 5559 1 14 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.588 -0.248 25819 5560 1 14 . 1 1 6 6 VAL CB C 6 32.948 32.948 34.041 -1.093 25819 5561 1 14 . 1 1 6 6 VAL H H 6 9.119 9.119 8.513 0.606 25819 5562 1 14 . 1 1 7 7 SER N N 7 112.137 112.137 114.295 -2.158 25819 5563 1 14 . 1 1 7 7 SER HA H 7 4.445 4.445 4.936 -0.491 25819 5564 1 14 . 1 1 7 7 SER CA C 7 56.349 56.349 57.567 -1.218 25819 5565 1 14 . 1 1 7 7 SER CB C 7 64.361 64.361 66.001 -1.640 25819 5566 1 14 . 1 1 7 7 SER H H 7 7.680 7.680 7.816 -0.136 25819 5567 1 14 . 1 1 8 8 ILE N N 8 118.674 118.674 115.792 2.882 25819 5568 1 14 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.978 -0.305 25819 5569 1 14 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.742 -0.596 25819 5570 1 14 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.529 -0.855 25819 5571 1 14 . 1 1 8 8 ILE H H 8 8.354 8.354 8.107 0.247 25819 5572 1 14 . 1 1 9 9 SER N N 9 121.319 121.319 119.415 1.904 25819 5573 1 14 . 1 1 9 9 SER HA H 9 4.863 4.863 4.827 0.036 25819 5574 1 14 . 1 1 9 9 SER CA C 9 55.381 55.381 57.265 -1.884 25819 5575 1 14 . 1 1 9 9 SER CB C 9 64.243 64.243 63.137 1.106 25819 5576 1 14 . 1 1 9 9 SER H H 9 9.028 9.028 8.658 0.370 25819 5577 1 14 . 1 1 10 10 VAL N N 10 127.509 127.509 121.602 5.907 25819 5578 1 14 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.806 0.244 25819 5579 1 14 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.749 1.163 25819 5580 1 14 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.618 -1.231 25819 5581 1 14 . 1 1 10 10 VAL H H 10 8.911 8.911 8.401 0.510 25819 5582 1 14 . 1 1 11 11 SER N N 11 121.860 121.860 121.161 0.699 25819 5583 1 14 . 1 1 11 11 SER CB C 11 64.373 64.373 63.125 1.248 25819 5584 1 14 . 1 1 11 11 SER H H 11 9.206 9.206 8.443 0.763 25819 5585 1 14 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.642 0.062 25819 5586 1 14 . 1 1 12 12 PRO CA C 12 60.899 60.899 63.121 -2.222 25819 5587 1 14 . 1 1 12 12 PRO CB C 12 34.089 34.089 31.920 2.169 25819 5588 1 14 . 1 1 13 13 THR N N 13 116.137 116.137 119.380 -3.243 25819 5589 1 14 . 1 1 13 13 THR HA H 13 4.770 4.770 4.443 0.327 25819 5590 1 14 . 1 1 13 13 THR CA C 13 60.153 60.153 60.945 -0.792 25819 5591 1 14 . 1 1 13 13 THR CB C 13 69.426 69.426 70.351 -0.925 25819 5592 1 14 . 1 1 13 13 THR H H 13 8.679 8.679 8.396 0.283 25819 5593 1 14 . 1 1 14 14 ASN N N 14 124.457 124.457 124.901 -0.444 25819 5594 1 14 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.999 -0.304 25819 5595 1 14 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.370 0.758 25819 5596 1 14 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.924 -2.331 25819 5597 1 14 . 1 1 14 14 ASN H H 14 8.710 8.710 8.643 0.067 25819 5598 1 14 . 1 1 15 15 SER N N 15 113.673 113.673 118.051 -4.378 25819 5599 1 14 . 1 1 15 15 SER HA H 15 4.648 4.648 4.590 0.058 25819 5600 1 14 . 1 1 15 15 SER CA C 15 55.644 55.644 58.231 -2.587 25819 5601 1 14 . 1 1 15 15 SER CB C 15 63.953 63.953 64.754 -0.801 25819 5602 1 14 . 1 1 15 15 SER H H 15 9.127 9.127 7.758 1.369 25819 5603 1 14 . 1 1 16 16 THR N N 16 113.579 113.579 116.493 -2.914 25819 5604 1 14 . 1 1 16 16 THR HA H 16 4.976 4.976 4.905 0.071 25819 5605 1 14 . 1 1 16 16 THR CA C 16 58.445 58.445 60.216 -1.771 25819 5606 1 14 . 1 1 16 16 THR CB C 16 70.534 70.534 70.175 0.359 25819 5607 1 14 . 1 1 16 16 THR H H 16 7.962 7.962 8.190 -0.228 25819 5608 1 14 . 1 1 17 17 VAL N N 17 121.479 121.479 124.686 -3.207 25819 5609 1 14 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.613 -0.293 25819 5610 1 14 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.205 -0.267 25819 5611 1 14 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.712 -0.307 25819 5612 1 14 . 1 1 17 17 VAL H H 17 7.969 7.969 9.102 -1.133 25819 5613 1 14 . 1 1 18 18 ALA N N 18 126.014 126.014 127.142 -1.128 25819 5614 1 14 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.291 -0.116 25819 5615 1 14 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.718 -0.755 25819 5616 1 14 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.544 -0.622 25819 5617 1 14 . 1 1 18 18 ALA H H 18 7.756 7.756 8.264 -0.508 25819 5618 1 14 . 1 1 19 19 LYS N N 19 119.741 119.741 121.351 -1.610 25819 5619 1 14 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.929 -0.442 25819 5620 1 14 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.361 0.410 25819 5621 1 14 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.476 -0.874 25819 5622 1 14 . 1 1 19 19 LYS H H 19 7.892 7.892 8.494 -0.602 25819 5623 1 14 . 1 1 20 20 GLY N N 20 116.709 116.709 115.454 1.255 25819 5624 1 14 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.041 -1.278 25819 5625 1 14 . 1 1 20 20 GLY H H 20 8.615 8.615 8.551 0.064 25819 5626 1 14 . 1 1 21 21 LEU N N 21 123.004 123.004 121.678 1.326 25819 5627 1 14 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.669 -0.081 25819 5628 1 14 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.781 -1.416 25819 5629 1 14 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.893 -4.931 25819 5630 1 14 . 1 1 21 21 LEU H H 21 8.013 8.013 7.766 0.247 25819 5631 1 14 . 1 1 22 22 GLN N N 22 117.503 117.503 120.257 -2.754 25819 5632 1 14 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.185 -0.057 25819 5633 1 14 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.780 -0.111 25819 5634 1 14 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.011 -1.097 25819 5635 1 14 . 1 1 22 22 GLN H H 22 8.223 8.223 8.389 -0.167 25819 5636 1 14 . 1 1 23 23 GLU N N 23 118.126 118.126 122.090 -3.964 25819 5637 1 14 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.630 -0.067 25819 5638 1 14 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.931 -2.064 25819 5639 1 14 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.093 0.781 25819 5640 1 14 . 1 1 23 23 GLU H H 23 8.188 8.188 8.352 -0.164 25819 5641 1 14 . 1 1 24 24 ASN N N 24 125.841 125.841 125.627 0.214 25819 5642 1 14 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.052 -0.274 25819 5643 1 14 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.592 -1.081 25819 5644 1 14 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.596 0.150 25819 5645 1 14 . 1 1 24 24 ASN H H 24 9.390 9.390 8.872 0.518 25819 5646 1 14 . 1 1 25 25 PHE N N 25 122.824 122.824 126.091 -3.267 25819 5647 1 14 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.780 -0.129 25819 5648 1 14 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.492 -0.369 25819 5649 1 14 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.895 -3.837 25819 5650 1 14 . 1 1 25 25 PHE H H 25 8.061 8.061 8.428 -0.367 25819 5651 1 14 . 1 1 26 26 LYS N N 26 119.114 119.114 123.448 -4.334 25819 5652 1 14 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.473 0.771 25819 5653 1 14 . 1 1 26 26 LYS CA C 26 52.976 52.976 54.769 -1.793 25819 5654 1 14 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.666 -1.005 25819 5655 1 14 . 1 1 26 26 LYS H H 26 9.255 9.255 7.572 1.683 25819 5656 1 14 . 1 1 27 27 ALA N N 27 125.583 125.583 126.387 -0.804 25819 5657 1 14 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.417 -0.155 25819 5658 1 14 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.801 -1.984 25819 5659 1 14 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.349 -1.189 25819 5660 1 14 . 1 1 27 27 ALA H H 27 9.120 9.120 8.376 0.744 25819 5661 1 14 . 1 1 28 28 THR HA H 28 4.837 4.837 4.609 0.228 25819 5662 1 14 . 1 1 28 28 THR CA C 28 60.566 60.566 61.227 -0.661 25819 5663 1 14 . 1 1 28 28 THR CB C 28 69.478 69.478 70.519 -1.041 25819 5664 1 14 . 1 1 28 28 THR H H 28 9.062 9.062 8.415 0.647 25819 5665 1 14 . 1 1 29 29 GLY N N 29 115.789 115.789 113.484 2.305 25819 5666 1 14 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.872 0.444 25819 5667 1 14 . 1 1 29 29 GLY H H 29 9.662 9.662 9.018 0.644 25819 5668 1 14 . 1 1 30 30 ILE N N 30 123.084 123.084 122.132 0.952 25819 5669 1 14 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.217 0.561 25819 5670 1 14 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.261 1.127 25819 5671 1 14 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.863 -3.980 25819 5672 1 14 . 1 1 30 30 ILE H H 30 7.914 7.914 8.310 -0.396 25819 5673 1 14 . 1 1 31 31 PHE N N 31 125.209 125.209 121.544 3.665 25819 5674 1 14 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.325 0.045 25819 5675 1 14 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.512 0.975 25819 5676 1 14 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.668 -0.515 25819 5677 1 14 . 1 1 31 31 PHE H H 31 8.316 8.316 8.026 0.290 25819 5678 1 14 . 1 1 32 32 THR N N 32 113.842 113.842 116.038 -2.196 25819 5679 1 14 . 1 1 32 32 THR HA H 32 4.404 4.404 4.212 0.192 25819 5680 1 14 . 1 1 32 32 THR CA C 32 64.157 64.157 64.499 -0.341 25819 5681 1 14 . 1 1 32 32 THR CB C 32 68.540 68.540 69.027 -0.487 25819 5682 1 14 . 1 1 32 32 THR H H 32 9.335 9.335 8.971 0.364 25819 5683 1 14 . 1 1 33 33 ASP N N 33 118.799 118.799 119.985 -1.186 25819 5684 1 14 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.756 -0.135 25819 5685 1 14 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.379 -1.416 25819 5686 1 14 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.648 -2.154 25819 5687 1 14 . 1 1 33 33 ASP H H 33 7.689 7.689 8.473 -0.784 25819 5688 1 14 . 1 1 34 34 ASN N N 34 112.993 112.993 115.280 -2.287 25819 5689 1 14 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.441 -0.093 25819 5690 1 14 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.761 -0.415 25819 5691 1 14 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.451 0.039 25819 5692 1 14 . 1 1 34 34 ASN H H 34 8.370 8.370 7.939 0.431 25819 5693 1 14 . 1 1 35 35 SER N N 35 115.543 115.543 115.791 -0.248 25819 5694 1 14 . 1 1 35 35 SER HA H 35 4.413 4.413 4.694 -0.281 25819 5695 1 14 . 1 1 35 35 SER CA C 35 57.882 57.882 57.807 0.075 25819 5696 1 14 . 1 1 35 35 SER CB C 35 63.770 63.770 64.395 -0.625 25819 5697 1 14 . 1 1 35 35 SER H H 35 7.990 7.990 7.983 0.007 25819 5698 1 14 . 1 1 36 36 ASN N N 36 116.051 116.051 125.391 -9.340 25819 5699 1 14 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.165 -2.491 25819 5700 1 14 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.203 1.596 25819 5701 1 14 . 1 1 36 36 ASN H H 36 8.518 8.518 8.680 -0.162 25819 5702 1 14 . 1 1 37 37 SER N N 37 113.191 113.191 117.897 -4.706 25819 5703 1 14 . 1 1 37 37 SER HA H 37 4.715 4.715 4.747 -0.032 25819 5704 1 14 . 1 1 37 37 SER CA C 37 56.801 56.801 57.592 -0.791 25819 5705 1 14 . 1 1 37 37 SER CB C 37 64.872 64.872 66.832 -1.960 25819 5706 1 14 . 1 1 37 37 SER H H 37 8.667 8.667 8.804 -0.137 25819 5707 1 14 . 1 1 38 38 ASP N N 38 123.961 123.961 121.667 2.294 25819 5708 1 14 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.699 0.288 25819 5709 1 14 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.408 0.793 25819 5710 1 14 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.992 -1.063 25819 5711 1 14 . 1 1 38 38 ASP H H 38 8.848 8.848 8.559 0.289 25819 5712 1 14 . 1 1 39 39 ILE N N 39 121.217 121.217 116.356 4.861 25819 5713 1 14 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.835 1.036 25819 5714 1 14 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.947 -2.240 25819 5715 1 14 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.466 1.620 25819 5716 1 14 . 1 1 39 39 ILE H H 39 8.815 8.815 8.462 0.353 25819 5717 1 14 . 1 1 40 40 THR N N 40 122.868 122.868 116.204 6.664 25819 5718 1 14 . 1 1 40 40 THR HA H 40 4.288 4.288 4.136 0.152 25819 5719 1 14 . 1 1 40 40 THR CB C 40 68.527 68.527 68.802 -0.275 25819 5720 1 14 . 1 1 40 40 THR H H 40 8.679 8.679 8.351 0.328 25819 5721 1 14 . 1 1 41 41 ASP N N 41 114.082 114.082 119.150 -5.068 25819 5722 1 14 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.721 -1.023 25819 5723 1 14 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.310 -0.832 25819 5724 1 14 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.881 -2.163 25819 5725 1 14 . 1 1 41 41 ASP H H 41 8.539 8.539 8.510 0.029 25819 5726 1 14 . 1 1 42 42 GLN N N 42 117.086 117.086 117.352 -0.266 25819 5727 1 14 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.028 0.123 25819 5728 1 14 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.813 -0.278 25819 5729 1 14 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.889 3.328 25819 5730 1 14 . 1 1 42 42 GLN H H 42 7.718 7.718 7.366 0.352 25819 5731 1 14 . 1 1 43 43 VAL N N 43 109.916 109.916 120.951 -11.035 25819 5732 1 14 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.140 -0.051 25819 5733 1 14 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.293 -4.453 25819 5734 1 14 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.409 -1.136 25819 5735 1 14 . 1 1 43 43 VAL H H 43 6.902 6.902 7.993 -1.091 25819 5736 1 14 . 1 1 44 44 THR N N 44 116.273 116.273 125.814 -9.541 25819 5737 1 14 . 1 1 44 44 THR HA H 44 4.315 4.315 4.517 -0.202 25819 5738 1 14 . 1 1 44 44 THR CA C 44 61.651 61.651 61.177 0.474 25819 5739 1 14 . 1 1 44 44 THR CB C 44 68.890 68.890 69.748 -0.858 25819 5740 1 14 . 1 1 44 44 THR H H 44 8.787 8.787 7.958 0.829 25819 5741 1 14 . 1 1 45 45 TRP N N 45 132.098 132.098 128.260 3.838 25819 5742 1 14 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.952 0.293 25819 5743 1 14 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.367 1.020 25819 5744 1 14 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.433 -0.357 25819 5745 1 14 . 1 1 45 45 TRP H H 45 10.351 10.351 8.415 1.936 25819 5746 1 14 . 1 1 46 46 ASP N N 46 121.897 121.897 120.698 1.199 25819 5747 1 14 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.852 0.005 25819 5748 1 14 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.371 -0.574 25819 5749 1 14 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.152 0.923 25819 5750 1 14 . 1 1 46 46 ASP H H 46 9.471 9.471 8.573 0.898 25819 5751 1 14 . 1 1 47 47 SER N N 47 113.803 113.803 119.029 -5.226 25819 5752 1 14 . 1 1 47 47 SER HA H 47 5.043 5.043 5.327 -0.283 25819 5753 1 14 . 1 1 47 47 SER CA C 47 53.059 53.059 56.289 -3.230 25819 5754 1 14 . 1 1 47 47 SER CB C 47 64.880 64.880 64.553 0.327 25819 5755 1 14 . 1 1 47 47 SER H H 47 8.502 8.502 8.450 0.052 25819 5756 1 14 . 1 1 48 48 SER N N 48 119.614 119.614 120.954 -1.340 25819 5757 1 14 . 1 1 48 48 SER HA H 48 4.264 4.264 4.251 0.013 25819 5758 1 14 . 1 1 48 48 SER CA C 48 59.404 59.404 59.576 -0.172 25819 5759 1 14 . 1 1 48 48 SER CB C 48 62.026 62.026 63.588 -1.562 25819 5760 1 14 . 1 1 48 48 SER H H 48 8.517 8.517 8.619 -0.102 25819 5761 1 14 . 1 1 49 49 ASN N N 49 118.259 118.259 115.002 3.257 25819 5762 1 14 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.530 0.368 25819 5763 1 14 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.220 -1.379 25819 5764 1 14 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.732 -1.012 25819 5765 1 14 . 1 1 49 49 ASN H H 49 7.816 7.816 8.196 -0.380 25819 5766 1 14 . 1 1 50 50 THR N N 50 119.289 119.289 111.807 7.482 25819 5767 1 14 . 1 1 50 50 THR HA H 50 4.541 4.541 4.489 0.052 25819 5768 1 14 . 1 1 50 50 THR CA C 50 62.137 62.137 62.028 0.109 25819 5769 1 14 . 1 1 50 50 THR CB C 50 67.100 67.100 70.016 -2.916 25819 5770 1 14 . 1 1 50 50 THR H H 50 9.049 9.049 8.356 0.693 25819 5771 1 14 . 1 1 51 51 ASP N N 51 118.825 118.825 120.871 -2.046 25819 5772 1 14 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.731 -0.145 25819 5773 1 14 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.511 0.179 25819 5774 1 14 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.768 -3.110 25819 5775 1 14 . 1 1 51 51 ASP H H 51 8.251 8.251 8.141 0.110 25819 5776 1 14 . 1 1 52 52 ILE N N 52 118.411 118.411 119.060 -0.649 25819 5777 1 14 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.320 -0.395 25819 5778 1 14 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.046 0.635 25819 5779 1 14 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.796 0.100 25819 5780 1 14 . 1 1 52 52 ILE H H 52 7.169 7.169 7.508 -0.339 25819 5781 1 14 . 1 1 53 53 LEU N N 53 120.128 120.128 124.406 -4.278 25819 5782 1 14 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.804 0.217 25819 5783 1 14 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.705 -0.424 25819 5784 1 14 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.036 1.369 25819 5785 1 14 . 1 1 53 53 LEU H H 53 7.876 7.876 8.162 -0.286 25819 5786 1 14 . 1 1 54 54 SER N N 54 122.251 122.251 117.668 4.583 25819 5787 1 14 . 1 1 54 54 SER HA H 54 4.959 4.959 4.809 0.150 25819 5788 1 14 . 1 1 54 54 SER CA C 54 54.724 54.724 57.781 -3.057 25819 5789 1 14 . 1 1 54 54 SER CB C 54 64.417 64.417 65.552 -1.135 25819 5790 1 14 . 1 1 54 54 SER H H 54 8.650 8.650 8.556 0.094 25819 5791 1 14 . 1 1 55 55 ILE N N 55 123.973 123.973 124.451 -0.478 25819 5792 1 14 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.890 0.011 25819 5793 1 14 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.133 -0.265 25819 5794 1 14 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.453 1.965 25819 5795 1 14 . 1 1 55 55 ILE H H 55 9.082 9.082 8.572 0.510 25819 5796 1 14 . 1 1 56 56 SER N N 56 119.539 119.539 120.844 -1.305 25819 5797 1 14 . 1 1 56 56 SER HA H 56 4.387 4.387 4.696 -0.309 25819 5798 1 14 . 1 1 56 56 SER CA C 56 56.626 56.626 57.056 -0.430 25819 5799 1 14 . 1 1 56 56 SER CB C 56 63.106 63.106 64.933 -1.827 25819 5800 1 14 . 1 1 56 56 SER H H 56 7.905 7.905 8.602 -0.697 25819 5801 1 14 . 1 1 57 57 ASN N N 57 124.209 124.209 122.010 2.199 25819 5802 1 14 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.786 0.233 25819 5803 1 14 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.877 -0.408 25819 5804 1 14 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.895 1.194 25819 5805 1 14 . 1 1 57 57 ASN H H 57 8.945 8.945 8.648 0.297 25819 5806 1 14 . 1 1 58 58 ALA N N 58 124.300 124.300 120.816 3.484 25819 5807 1 14 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.495 -0.362 25819 5808 1 14 . 1 1 58 58 ALA CA C 58 51.287 51.287 51.827 -0.540 25819 5809 1 14 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.625 -1.271 25819 5810 1 14 . 1 1 58 58 ALA H H 58 8.150 8.150 7.921 0.229 25819 5811 1 14 . 1 1 59 59 SER N N 59 113.299 113.299 114.935 -1.636 25819 5812 1 14 . 1 1 59 59 SER HA H 59 4.698 4.698 4.163 0.535 25819 5813 1 14 . 1 1 59 59 SER CA C 59 60.003 60.003 61.184 -1.181 25819 5814 1 14 . 1 1 59 59 SER CB C 59 62.574 62.574 63.424 -0.850 25819 5815 1 14 . 1 1 59 59 SER H H 59 8.377 8.377 8.496 -0.119 25819 5816 1 14 . 1 1 60 60 ASP N N 60 116.275 116.275 115.007 1.268 25819 5817 1 14 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.726 -0.064 25819 5818 1 14 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.926 -2.167 25819 5819 1 14 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.231 -1.519 25819 5820 1 14 . 1 1 60 60 ASP H H 60 8.311 8.311 8.316 -0.005 25819 5821 1 14 . 1 1 61 61 SER N N 61 112.649 112.649 112.780 -0.131 25819 5822 1 14 . 1 1 61 61 SER HA H 61 4.630 4.630 4.369 0.261 25819 5823 1 14 . 1 1 61 61 SER CA C 61 56.180 56.180 58.327 -2.147 25819 5824 1 14 . 1 1 61 61 SER CB C 61 61.843 61.843 63.109 -1.266 25819 5825 1 14 . 1 1 61 61 SER H H 61 7.588 7.588 7.672 -0.084 25819 5826 1 14 . 1 1 62 62 HIS N N 62 119.790 119.790 124.720 -4.930 25819 5827 1 14 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.460 -0.413 25819 5828 1 14 . 1 1 62 62 HIS CA C 62 56.919 56.919 57.161 -0.242 25819 5829 1 14 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.493 -2.969 25819 5830 1 14 . 1 1 62 62 HIS H H 62 8.030 8.030 8.178 -0.148 25819 5831 1 14 . 1 1 63 63 GLY N N 63 113.301 113.301 107.756 5.545 25819 5832 1 14 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.306 -0.653 25819 5833 1 14 . 1 1 63 63 GLY H H 63 8.733 8.733 8.297 0.436 25819 5834 1 14 . 1 1 64 64 LEU N N 64 120.664 120.664 120.579 0.085 25819 5835 1 14 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.126 -0.740 25819 5836 1 14 . 1 1 64 64 LEU CA C 64 54.893 54.893 55.006 -0.113 25819 5837 1 14 . 1 1 64 64 LEU CB C 64 41.463 41.463 47.001 -5.538 25819 5838 1 14 . 1 1 64 64 LEU H H 64 7.679 7.679 8.922 -1.243 25819 5839 1 14 . 1 1 65 65 ALA N N 65 108.347 108.347 124.292 -15.945 25819 5840 1 14 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.808 0.594 25819 5841 1 14 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.676 -1.409 25819 5842 1 14 . 1 1 65 65 ALA CB C 65 21.555 21.555 19.548 2.007 25819 5843 1 14 . 1 1 65 65 ALA H H 65 9.874 9.874 8.740 1.134 25819 5844 1 14 . 1 1 66 66 SER N N 66 115.951 115.951 121.385 -5.434 25819 5845 1 14 . 1 1 66 66 SER HA H 66 4.909 4.909 5.371 -0.462 25819 5846 1 14 . 1 1 66 66 SER CA C 66 56.645 56.645 56.756 -0.111 25819 5847 1 14 . 1 1 66 66 SER CB C 66 63.823 63.823 64.567 -0.744 25819 5848 1 14 . 1 1 66 66 SER H H 66 8.938 8.938 8.587 0.351 25819 5849 1 14 . 1 1 67 67 THR N N 67 113.595 113.595 116.988 -3.393 25819 5850 1 14 . 1 1 67 67 THR HA H 67 4.649 4.649 4.728 -0.079 25819 5851 1 14 . 1 1 67 67 THR CA C 67 59.216 59.216 61.241 -2.025 25819 5852 1 14 . 1 1 67 67 THR CB C 67 69.006 69.006 71.767 -2.761 25819 5853 1 14 . 1 1 67 67 THR H H 67 8.258 8.258 8.680 -0.422 25819 5854 1 14 . 1 1 68 68 LEU N N 68 124.152 124.152 122.761 1.391 25819 5855 1 14 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.710 -0.354 25819 5856 1 14 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.548 0.564 25819 5857 1 14 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.940 0.975 25819 5858 1 14 . 1 1 68 68 LEU H H 68 8.616 8.616 8.346 0.270 25819 5859 1 14 . 1 1 69 69 ASN N N 69 115.821 115.821 114.526 1.295 25819 5860 1 14 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.775 -0.131 25819 5861 1 14 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.437 0.019 25819 5862 1 14 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.109 2.197 25819 5863 1 14 . 1 1 69 69 ASN H H 69 7.965 7.965 7.679 0.286 25819 5864 1 14 . 1 1 70 70 GLN N N 70 114.564 114.564 116.664 -2.100 25819 5865 1 14 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.595 -0.670 25819 5866 1 14 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.998 0.239 25819 5867 1 14 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.652 0.354 25819 5868 1 14 . 1 1 70 70 GLN H H 70 8.287 8.287 8.596 -0.309 25819 5869 1 14 . 1 1 71 71 GLY N N 71 108.006 108.006 108.301 -0.295 25819 5870 1 14 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.067 -1.381 25819 5871 1 14 . 1 1 71 71 GLY H H 71 8.520 8.520 7.772 0.748 25819 5872 1 14 . 1 1 72 72 ASN N N 72 117.784 117.784 120.441 -2.657 25819 5873 1 14 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.079 0.394 25819 5874 1 14 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.285 -0.594 25819 5875 1 14 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.807 -1.911 25819 5876 1 14 . 1 1 72 72 ASN H H 72 8.420 8.420 8.384 0.036 25819 5877 1 14 . 1 1 73 73 VAL N N 73 115.849 115.849 117.124 -1.275 25819 5878 1 14 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.569 -0.038 25819 5879 1 14 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.494 -1.519 25819 5880 1 14 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.692 0.487 25819 5881 1 14 . 1 1 73 73 VAL H H 73 8.990 8.990 9.115 -0.125 25819 5882 1 14 . 1 1 74 74 LYS N N 74 123.196 123.196 125.499 -2.303 25819 5883 1 14 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.671 0.485 25819 5884 1 14 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.708 -0.827 25819 5885 1 14 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.781 -0.184 25819 5886 1 14 . 1 1 74 74 LYS H H 74 8.716 8.716 8.613 0.103 25819 5887 1 14 . 1 1 75 75 VAL N N 75 129.522 129.522 128.945 0.577 25819 5888 1 14 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.674 -0.132 25819 5889 1 14 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.431 -0.615 25819 5890 1 14 . 1 1 75 75 VAL CB C 75 32.483 32.483 31.654 0.829 25819 5891 1 14 . 1 1 75 75 VAL H H 75 8.975 8.975 8.694 0.281 25819 5892 1 14 . 1 1 76 76 THR N N 76 120.548 120.548 124.034 -3.486 25819 5893 1 14 . 1 1 76 76 THR HA H 76 5.066 5.066 4.903 0.163 25819 5894 1 14 . 1 1 76 76 THR CA C 76 59.783 59.783 60.878 -1.095 25819 5895 1 14 . 1 1 76 76 THR CB C 76 70.733 70.733 70.354 0.379 25819 5896 1 14 . 1 1 76 76 THR H H 76 8.650 8.650 8.984 -0.334 25819 5897 1 14 . 1 1 77 77 ALA N N 77 126.454 126.454 128.501 -2.047 25819 5898 1 14 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.436 -1.056 25819 5899 1 14 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.201 -1.771 25819 5900 1 14 . 1 1 77 77 ALA CB C 77 20.544 20.544 23.271 -2.728 25819 5901 1 14 . 1 1 77 77 ALA H H 77 8.674 8.674 8.667 0.007 25819 5902 1 14 . 1 1 78 78 SER N N 78 113.568 113.568 114.556 -0.988 25819 5903 1 14 . 1 1 78 78 SER HA H 78 5.376 5.376 4.909 0.467 25819 5904 1 14 . 1 1 78 78 SER CA C 78 56.077 56.077 58.442 -2.365 25819 5905 1 14 . 1 1 78 78 SER CB C 78 65.730 65.730 66.674 -0.944 25819 5906 1 14 . 1 1 78 78 SER H H 78 8.117 8.117 8.260 -0.143 25819 5907 1 14 . 1 1 79 79 ILE N N 79 121.071 121.071 124.278 -3.207 25819 5908 1 14 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.468 -0.327 25819 5909 1 14 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.229 0.895 25819 5910 1 14 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.237 -1.428 25819 5911 1 14 . 1 1 79 79 ILE H H 79 8.446 8.446 7.802 0.644 25819 5912 1 14 . 1 1 80 80 GLY N N 80 117.157 117.157 116.723 0.434 25819 5913 1 14 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.554 -0.548 25819 5914 1 14 . 1 1 80 80 GLY H H 80 8.899 8.899 8.562 0.337 25819 5915 1 14 . 1 1 81 81 GLY N N 81 110.715 110.715 109.920 0.795 25819 5916 1 14 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.536 -0.158 25819 5917 1 14 . 1 1 81 81 GLY H H 81 8.742 8.742 8.086 0.656 25819 5918 1 14 . 1 1 82 82 ILE N N 82 124.113 124.113 120.506 3.607 25819 5919 1 14 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.028 0.172 25819 5920 1 14 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.832 -1.799 25819 5921 1 14 . 1 1 82 82 ILE CB C 82 36.777 36.777 37.614 -0.837 25819 5922 1 14 . 1 1 82 82 ILE H H 82 8.188 8.188 8.048 0.140 25819 5923 1 14 . 1 1 83 83 GLN N N 83 122.455 122.455 121.792 0.663 25819 5924 1 14 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.533 0.862 25819 5925 1 14 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.161 -1.141 25819 5926 1 14 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.419 0.096 25819 5927 1 14 . 1 1 83 83 GLN H H 83 8.423 8.423 8.192 0.231 25819 5928 1 14 . 1 1 84 84 GLY N N 84 111.437 111.437 107.777 3.660 25819 5929 1 14 . 1 1 84 84 GLY H H 84 8.931 8.931 8.444 0.487 25819 5930 1 14 . 1 1 85 85 SER N N 85 113.878 113.878 116.188 -2.310 25819 5931 1 14 . 1 1 85 85 SER HA H 85 5.841 5.841 5.488 0.353 25819 5932 1 14 . 1 1 85 85 SER CA C 85 56.264 56.264 56.884 -0.620 25819 5933 1 14 . 1 1 85 85 SER CB C 85 66.946 66.946 66.229 0.717 25819 5934 1 14 . 1 1 85 85 SER H H 85 8.710 8.710 8.299 0.411 25819 5935 1 14 . 1 1 86 86 THR N N 86 115.389 115.389 115.684 -0.295 25819 5936 1 14 . 1 1 86 86 THR HA H 86 4.772 4.772 4.606 0.166 25819 5937 1 14 . 1 1 86 86 THR CA C 86 60.313 60.313 61.433 -1.120 25819 5938 1 14 . 1 1 86 86 THR CB C 86 69.852 69.852 71.900 -2.048 25819 5939 1 14 . 1 1 86 86 THR H H 86 8.854 8.854 8.945 -0.091 25819 5940 1 14 . 1 1 87 87 ASP N N 87 124.623 124.623 122.067 2.556 25819 5941 1 14 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.892 0.544 25819 5942 1 14 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.603 0.193 25819 5943 1 14 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.901 -0.891 25819 5944 1 14 . 1 1 87 87 ASP H H 87 7.953 7.953 8.492 -0.539 25819 5945 1 14 . 1 1 88 88 PHE N N 88 123.574 123.574 123.697 -0.123 25819 5946 1 14 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.479 -0.548 25819 5947 1 14 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.140 0.828 25819 5948 1 14 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.683 -0.799 25819 5949 1 14 . 1 1 88 88 PHE H H 88 9.094 9.094 9.087 0.007 25819 5950 1 14 . 1 1 89 89 LYS N N 89 126.965 126.965 123.237 3.728 25819 5951 1 14 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.768 0.270 25819 5952 1 14 . 1 1 89 89 LYS CA C 89 53.889 53.889 54.560 -0.671 25819 5953 1 14 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.878 -0.209 25819 5954 1 14 . 1 1 89 89 LYS H H 89 7.269 7.269 8.498 -1.229 25819 5955 1 14 . 1 1 90 90 VAL N N 90 126.148 126.148 127.463 -1.315 25819 5956 1 14 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.228 -0.217 25819 5957 1 14 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.938 -1.391 25819 5958 1 14 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.787 -1.839 25819 5959 1 14 . 1 1 90 90 VAL H H 90 9.086 9.086 8.730 0.356 25819 5960 1 14 . 1 1 91 91 THR N N 91 120.505 120.505 120.882 -0.377 25819 5961 1 14 . 1 1 91 91 THR HA H 91 4.568 4.568 4.590 -0.022 25819 5962 1 14 . 1 1 91 91 THR CA C 91 59.348 59.348 60.191 -0.843 25819 5963 1 14 . 1 1 91 91 THR CB C 91 68.970 68.970 71.043 -2.072 25819 5964 1 14 . 1 1 91 91 THR H H 91 8.757 8.757 8.138 0.619 25819 5965 1 15 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.481 -0.204 25819 5966 1 15 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.041 -1.820 25819 5967 1 15 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.668 -1.252 25819 5968 1 15 . 1 1 3 3 ALA N N 3 123.804 123.804 122.682 1.122 25819 5969 1 15 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.353 -0.147 25819 5970 1 15 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.086 -0.691 25819 5971 1 15 . 1 1 3 3 ALA CB C 3 18.840 18.840 19.792 -0.952 25819 5972 1 15 . 1 1 3 3 ALA H H 3 8.647 8.647 7.981 0.666 25819 5973 1 15 . 1 1 4 4 ALA N N 4 124.058 124.058 125.191 -1.133 25819 5974 1 15 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.766 -0.057 25819 5975 1 15 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.489 -0.467 25819 5976 1 15 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.491 -1.594 25819 5977 1 15 . 1 1 4 4 ALA H H 4 8.239 8.239 8.281 -0.042 25819 5978 1 15 . 1 1 5 5 LEU N N 5 124.018 124.018 119.789 4.229 25819 5979 1 15 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.317 -0.945 25819 5980 1 15 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.276 -1.268 25819 5981 1 15 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.133 -0.891 25819 5982 1 15 . 1 1 5 5 LEU H H 5 8.560 8.560 8.731 -0.171 25819 5983 1 15 . 1 1 6 6 VAL N N 6 123.357 123.357 120.161 3.196 25819 5984 1 15 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.277 -0.180 25819 5985 1 15 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.688 -0.348 25819 5986 1 15 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.935 -0.987 25819 5987 1 15 . 1 1 6 6 VAL H H 6 9.119 9.119 8.296 0.823 25819 5988 1 15 . 1 1 7 7 SER N N 7 112.137 112.137 113.344 -1.207 25819 5989 1 15 . 1 1 7 7 SER HA H 7 4.445 4.445 4.679 -0.234 25819 5990 1 15 . 1 1 7 7 SER CA C 7 56.349 56.349 58.236 -1.887 25819 5991 1 15 . 1 1 7 7 SER CB C 7 64.361 64.361 65.002 -0.641 25819 5992 1 15 . 1 1 7 7 SER H H 7 7.680 7.680 7.569 0.111 25819 5993 1 15 . 1 1 8 8 ILE N N 8 118.674 118.674 117.056 1.618 25819 5994 1 15 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.145 -0.472 25819 5995 1 15 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.510 -0.364 25819 5996 1 15 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.345 -0.671 25819 5997 1 15 . 1 1 8 8 ILE H H 8 8.354 8.354 8.156 0.198 25819 5998 1 15 . 1 1 9 9 SER N N 9 121.319 121.319 119.277 2.042 25819 5999 1 15 . 1 1 9 9 SER HA H 9 4.863 4.863 4.897 -0.034 25819 6000 1 15 . 1 1 9 9 SER CA C 9 55.381 55.381 57.397 -2.016 25819 6001 1 15 . 1 1 9 9 SER CB C 9 64.243 64.243 63.852 0.391 25819 6002 1 15 . 1 1 9 9 SER H H 9 9.028 9.028 8.762 0.266 25819 6003 1 15 . 1 1 10 10 VAL N N 10 127.509 127.509 127.332 0.177 25819 6004 1 15 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.446 0.604 25819 6005 1 15 . 1 1 10 10 VAL CA C 10 60.912 60.912 61.514 -0.602 25819 6006 1 15 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.655 -1.268 25819 6007 1 15 . 1 1 10 10 VAL H H 10 8.911 8.911 8.647 0.264 25819 6008 1 15 . 1 1 11 11 SER N N 11 121.860 121.860 122.176 -0.316 25819 6009 1 15 . 1 1 11 11 SER CB C 11 64.373 64.373 63.008 1.365 25819 6010 1 15 . 1 1 11 11 SER H H 11 9.206 9.206 8.811 0.395 25819 6011 1 15 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.095 0.609 25819 6012 1 15 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.432 -1.533 25819 6013 1 15 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.211 1.878 25819 6014 1 15 . 1 1 13 13 THR N N 13 116.137 116.137 116.936 -0.799 25819 6015 1 15 . 1 1 13 13 THR HA H 13 4.770 4.770 4.301 0.469 25819 6016 1 15 . 1 1 13 13 THR CA C 13 60.153 60.153 61.305 -1.152 25819 6017 1 15 . 1 1 13 13 THR CB C 13 69.426 69.426 70.105 -0.679 25819 6018 1 15 . 1 1 13 13 THR H H 13 8.679 8.679 7.803 0.876 25819 6019 1 15 . 1 1 14 14 ASN N N 14 124.457 124.457 123.555 0.902 25819 6020 1 15 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.658 0.037 25819 6021 1 15 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.345 0.783 25819 6022 1 15 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.111 -2.518 25819 6023 1 15 . 1 1 14 14 ASN H H 14 8.710 8.710 8.343 0.367 25819 6024 1 15 . 1 1 15 15 SER N N 15 113.673 113.673 112.889 0.784 25819 6025 1 15 . 1 1 15 15 SER HA H 15 4.648 4.648 4.198 0.450 25819 6026 1 15 . 1 1 15 15 SER CA C 15 55.644 55.644 58.909 -3.265 25819 6027 1 15 . 1 1 15 15 SER CB C 15 63.953 63.953 62.962 0.992 25819 6028 1 15 . 1 1 15 15 SER H H 15 9.127 9.127 8.370 0.757 25819 6029 1 15 . 1 1 16 16 THR N N 16 113.579 113.579 112.792 0.787 25819 6030 1 15 . 1 1 16 16 THR HA H 16 4.976 4.976 4.809 0.167 25819 6031 1 15 . 1 1 16 16 THR CA C 16 58.445 58.445 61.384 -2.939 25819 6032 1 15 . 1 1 16 16 THR CB C 16 70.534 70.534 70.425 0.109 25819 6033 1 15 . 1 1 16 16 THR H H 16 7.962 7.962 8.205 -0.243 25819 6034 1 15 . 1 1 17 17 VAL N N 17 121.479 121.479 121.191 0.288 25819 6035 1 15 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.487 -0.167 25819 6036 1 15 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.710 0.227 25819 6037 1 15 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.947 -0.543 25819 6038 1 15 . 1 1 17 17 VAL H H 17 7.969 7.969 8.871 -0.902 25819 6039 1 15 . 1 1 18 18 ALA N N 18 126.014 126.014 127.994 -1.980 25819 6040 1 15 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.320 -0.145 25819 6041 1 15 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.198 -1.235 25819 6042 1 15 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.195 -0.273 25819 6043 1 15 . 1 1 18 18 ALA H H 18 7.756 7.756 8.231 -0.475 25819 6044 1 15 . 1 1 19 19 LYS N N 19 119.741 119.741 123.131 -3.390 25819 6045 1 15 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.055 -0.568 25819 6046 1 15 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.394 0.378 25819 6047 1 15 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.150 -0.548 25819 6048 1 15 . 1 1 19 19 LYS H H 19 7.892 7.892 8.228 -0.336 25819 6049 1 15 . 1 1 20 20 GLY N N 20 116.709 116.709 111.747 4.962 25819 6050 1 15 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.407 -1.644 25819 6051 1 15 . 1 1 20 20 GLY H H 20 8.615 8.615 8.483 0.132 25819 6052 1 15 . 1 1 21 21 LEU N N 21 123.004 123.004 123.912 -0.908 25819 6053 1 15 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.531 0.057 25819 6054 1 15 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.904 -1.539 25819 6055 1 15 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.364 -5.402 25819 6056 1 15 . 1 1 21 21 LEU H H 21 8.013 8.013 8.059 -0.046 25819 6057 1 15 . 1 1 22 22 GLN N N 22 117.503 117.503 120.048 -2.545 25819 6058 1 15 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.142 -0.014 25819 6059 1 15 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.178 -0.509 25819 6060 1 15 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.625 -0.711 25819 6061 1 15 . 1 1 22 22 GLN H H 22 8.223 8.223 8.357 -0.134 25819 6062 1 15 . 1 1 23 23 GLU N N 23 118.126 118.126 124.274 -6.148 25819 6063 1 15 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.460 0.103 25819 6064 1 15 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.827 -1.960 25819 6065 1 15 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.295 -0.421 25819 6066 1 15 . 1 1 23 23 GLU H H 23 8.188 8.188 8.613 -0.425 25819 6067 1 15 . 1 1 24 24 ASN N N 24 125.841 125.841 118.683 7.158 25819 6068 1 15 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.908 -0.130 25819 6069 1 15 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.339 0.172 25819 6070 1 15 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.065 -0.319 25819 6071 1 15 . 1 1 24 24 ASN H H 24 9.390 9.390 8.068 1.322 25819 6072 1 15 . 1 1 25 25 PHE N N 25 122.824 122.824 121.852 0.972 25819 6073 1 15 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.884 -0.233 25819 6074 1 15 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.233 0.890 25819 6075 1 15 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.410 -4.351 25819 6076 1 15 . 1 1 25 25 PHE H H 25 8.061 8.061 8.850 -0.789 25819 6077 1 15 . 1 1 26 26 LYS N N 26 119.114 119.114 118.440 0.674 25819 6078 1 15 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.786 0.458 25819 6079 1 15 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.771 -2.795 25819 6080 1 15 . 1 1 26 26 LYS CB C 26 34.661 34.661 37.116 -2.455 25819 6081 1 15 . 1 1 26 26 LYS H H 26 9.255 9.255 8.736 0.519 25819 6082 1 15 . 1 1 27 27 ALA N N 27 125.583 125.583 124.389 1.194 25819 6083 1 15 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.464 -0.202 25819 6084 1 15 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.008 -2.191 25819 6085 1 15 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.437 -1.277 25819 6086 1 15 . 1 1 27 27 ALA H H 27 9.120 9.120 8.604 0.516 25819 6087 1 15 . 1 1 28 28 THR HA H 28 4.837 4.837 4.701 0.136 25819 6088 1 15 . 1 1 28 28 THR CA C 28 60.566 60.566 60.369 0.197 25819 6089 1 15 . 1 1 28 28 THR CB C 28 69.478 69.478 70.112 -0.634 25819 6090 1 15 . 1 1 28 28 THR H H 28 9.062 9.062 8.503 0.559 25819 6091 1 15 . 1 1 29 29 GLY N N 29 115.789 115.789 113.181 2.608 25819 6092 1 15 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.606 0.710 25819 6093 1 15 . 1 1 29 29 GLY H H 29 9.662 9.662 9.216 0.446 25819 6094 1 15 . 1 1 30 30 ILE N N 30 123.084 123.084 123.713 -0.629 25819 6095 1 15 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.310 0.468 25819 6096 1 15 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.336 1.052 25819 6097 1 15 . 1 1 30 30 ILE CB C 30 36.883 36.883 39.491 -2.608 25819 6098 1 15 . 1 1 30 30 ILE H H 30 7.914 7.914 8.822 -0.908 25819 6099 1 15 . 1 1 31 31 PHE N N 31 125.209 125.209 121.193 4.016 25819 6100 1 15 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.223 0.147 25819 6101 1 15 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.849 0.638 25819 6102 1 15 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.501 -1.348 25819 6103 1 15 . 1 1 31 31 PHE H H 31 8.316 8.316 7.961 0.355 25819 6104 1 15 . 1 1 32 32 THR N N 32 113.842 113.842 117.300 -3.458 25819 6105 1 15 . 1 1 32 32 THR HA H 32 4.404 4.404 4.190 0.214 25819 6106 1 15 . 1 1 32 32 THR CA C 32 64.157 64.157 65.639 -1.482 25819 6107 1 15 . 1 1 32 32 THR CB C 32 68.540 68.540 69.028 -0.489 25819 6108 1 15 . 1 1 32 32 THR H H 32 9.335 9.335 8.778 0.557 25819 6109 1 15 . 1 1 33 33 ASP N N 33 118.799 118.799 118.880 -0.081 25819 6110 1 15 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.619 0.002 25819 6111 1 15 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.195 -1.232 25819 6112 1 15 . 1 1 33 33 ASP CB C 33 38.494 38.494 39.587 -1.093 25819 6113 1 15 . 1 1 33 33 ASP H H 33 7.689 7.689 8.271 -0.582 25819 6114 1 15 . 1 1 34 34 ASN N N 34 112.993 112.993 113.916 -0.923 25819 6115 1 15 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.290 0.058 25819 6116 1 15 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.804 -0.458 25819 6117 1 15 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.312 0.178 25819 6118 1 15 . 1 1 34 34 ASN H H 34 8.370 8.370 8.079 0.291 25819 6119 1 15 . 1 1 35 35 SER N N 35 115.543 115.543 115.652 -0.109 25819 6120 1 15 . 1 1 35 35 SER HA H 35 4.413 4.413 4.606 -0.193 25819 6121 1 15 . 1 1 35 35 SER CA C 35 57.882 57.882 57.265 0.617 25819 6122 1 15 . 1 1 35 35 SER CB C 35 63.770 63.770 64.433 -0.663 25819 6123 1 15 . 1 1 35 35 SER H H 35 7.990 7.990 8.600 -0.610 25819 6124 1 15 . 1 1 36 36 ASN N N 36 116.051 116.051 126.083 -10.032 25819 6125 1 15 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.908 -2.234 25819 6126 1 15 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.810 1.989 25819 6127 1 15 . 1 1 36 36 ASN H H 36 8.518 8.518 8.757 -0.239 25819 6128 1 15 . 1 1 37 37 SER N N 37 113.191 113.191 120.208 -7.017 25819 6129 1 15 . 1 1 37 37 SER HA H 37 4.715 4.715 4.863 -0.148 25819 6130 1 15 . 1 1 37 37 SER CA C 37 56.801 56.801 57.252 -0.451 25819 6131 1 15 . 1 1 37 37 SER CB C 37 64.872 64.872 66.553 -1.681 25819 6132 1 15 . 1 1 37 37 SER H H 37 8.667 8.667 9.049 -0.382 25819 6133 1 15 . 1 1 38 38 ASP N N 38 123.961 123.961 123.656 0.305 25819 6134 1 15 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.780 0.207 25819 6135 1 15 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.338 0.863 25819 6136 1 15 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.344 -1.415 25819 6137 1 15 . 1 1 38 38 ASP H H 38 8.848 8.848 8.600 0.248 25819 6138 1 15 . 1 1 39 39 ILE N N 39 121.217 121.217 116.090 5.127 25819 6139 1 15 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.745 1.126 25819 6140 1 15 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.117 -2.410 25819 6141 1 15 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.479 1.607 25819 6142 1 15 . 1 1 39 39 ILE H H 39 8.815 8.815 8.311 0.504 25819 6143 1 15 . 1 1 40 40 THR N N 40 122.868 122.868 114.985 7.883 25819 6144 1 15 . 1 1 40 40 THR HA H 40 4.288 4.288 4.069 0.219 25819 6145 1 15 . 1 1 40 40 THR CB C 40 68.527 68.527 68.969 -0.442 25819 6146 1 15 . 1 1 40 40 THR H H 40 8.679 8.679 8.121 0.558 25819 6147 1 15 . 1 1 41 41 ASP N N 41 114.082 114.082 119.129 -5.047 25819 6148 1 15 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.837 -1.139 25819 6149 1 15 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.810 -0.332 25819 6150 1 15 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.568 -1.850 25819 6151 1 15 . 1 1 41 41 ASP H H 41 8.539 8.539 8.404 0.135 25819 6152 1 15 . 1 1 42 42 GLN N N 42 117.086 117.086 116.436 0.650 25819 6153 1 15 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.025 0.126 25819 6154 1 15 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.077 -0.541 25819 6155 1 15 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.849 3.367 25819 6156 1 15 . 1 1 42 42 GLN H H 42 7.718 7.718 7.243 0.475 25819 6157 1 15 . 1 1 43 43 VAL N N 43 109.916 109.916 121.639 -11.723 25819 6158 1 15 . 1 1 43 43 VAL HA H 43 4.089 4.089 3.883 0.206 25819 6159 1 15 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.610 -4.770 25819 6160 1 15 . 1 1 43 43 VAL CB C 43 31.273 31.273 31.149 0.124 25819 6161 1 15 . 1 1 43 43 VAL H H 43 6.902 6.902 8.239 -1.337 25819 6162 1 15 . 1 1 44 44 THR N N 44 116.273 116.273 123.826 -7.553 25819 6163 1 15 . 1 1 44 44 THR HA H 44 4.315 4.315 4.553 -0.238 25819 6164 1 15 . 1 1 44 44 THR CA C 44 61.651 61.651 62.568 -0.917 25819 6165 1 15 . 1 1 44 44 THR CB C 44 68.890 68.890 68.968 -0.078 25819 6166 1 15 . 1 1 44 44 THR H H 44 8.787 8.787 7.700 1.087 25819 6167 1 15 . 1 1 45 45 TRP N N 45 132.098 132.098 128.233 3.865 25819 6168 1 15 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.119 0.126 25819 6169 1 15 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.498 -1.111 25819 6170 1 15 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.188 -1.111 25819 6171 1 15 . 1 1 45 45 TRP H H 45 10.351 10.351 8.349 2.002 25819 6172 1 15 . 1 1 46 46 ASP N N 46 121.897 121.897 121.907 -0.010 25819 6173 1 15 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.071 -0.214 25819 6174 1 15 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.485 -0.688 25819 6175 1 15 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.717 -0.642 25819 6176 1 15 . 1 1 46 46 ASP H H 46 9.471 9.471 9.128 0.343 25819 6177 1 15 . 1 1 47 47 SER N N 47 113.803 113.803 117.182 -3.379 25819 6178 1 15 . 1 1 47 47 SER HA H 47 5.043 5.043 5.129 -0.086 25819 6179 1 15 . 1 1 47 47 SER CA C 47 53.059 53.059 56.443 -3.384 25819 6180 1 15 . 1 1 47 47 SER CB C 47 64.880 64.880 64.704 0.176 25819 6181 1 15 . 1 1 47 47 SER H H 47 8.502 8.502 8.559 -0.057 25819 6182 1 15 . 1 1 48 48 SER N N 48 119.614 119.614 121.813 -2.199 25819 6183 1 15 . 1 1 48 48 SER HA H 48 4.264 4.264 4.277 -0.013 25819 6184 1 15 . 1 1 48 48 SER CA C 48 59.404 59.404 59.966 -0.562 25819 6185 1 15 . 1 1 48 48 SER CB C 48 62.026 62.026 63.444 -1.418 25819 6186 1 15 . 1 1 48 48 SER H H 48 8.517 8.517 8.581 -0.064 25819 6187 1 15 . 1 1 49 49 ASN N N 49 118.259 118.259 115.218 3.041 25819 6188 1 15 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.513 0.385 25819 6189 1 15 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.242 -1.401 25819 6190 1 15 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.720 -1.000 25819 6191 1 15 . 1 1 49 49 ASN H H 49 7.816 7.816 7.713 0.103 25819 6192 1 15 . 1 1 50 50 THR N N 50 119.289 119.289 114.823 4.466 25819 6193 1 15 . 1 1 50 50 THR HA H 50 4.541 4.541 4.524 0.017 25819 6194 1 15 . 1 1 50 50 THR CA C 50 62.137 62.137 63.399 -1.262 25819 6195 1 15 . 1 1 50 50 THR CB C 50 67.100 67.100 69.597 -2.497 25819 6196 1 15 . 1 1 50 50 THR H H 50 9.049 9.049 8.500 0.549 25819 6197 1 15 . 1 1 51 51 ASP N N 51 118.825 118.825 119.747 -0.922 25819 6198 1 15 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.801 -0.215 25819 6199 1 15 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.148 0.542 25819 6200 1 15 . 1 1 51 51 ASP CB C 51 39.658 39.658 43.315 -3.657 25819 6201 1 15 . 1 1 51 51 ASP H H 51 8.251 8.251 8.104 0.147 25819 6202 1 15 . 1 1 52 52 ILE N N 52 118.411 118.411 119.714 -1.303 25819 6203 1 15 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.200 -0.275 25819 6204 1 15 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.552 0.129 25819 6205 1 15 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.794 -0.898 25819 6206 1 15 . 1 1 52 52 ILE H H 52 7.169 7.169 7.462 -0.293 25819 6207 1 15 . 1 1 53 53 LEU N N 53 120.128 120.128 125.204 -5.076 25819 6208 1 15 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.935 0.086 25819 6209 1 15 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.025 -0.744 25819 6210 1 15 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.666 1.739 25819 6211 1 15 . 1 1 53 53 LEU H H 53 7.876 7.876 8.043 -0.167 25819 6212 1 15 . 1 1 54 54 SER N N 54 122.251 122.251 116.287 5.964 25819 6213 1 15 . 1 1 54 54 SER HA H 54 4.959 4.959 4.827 0.132 25819 6214 1 15 . 1 1 54 54 SER CA C 54 54.724 54.724 56.706 -1.982 25819 6215 1 15 . 1 1 54 54 SER CB C 54 64.417 64.417 65.833 -1.416 25819 6216 1 15 . 1 1 54 54 SER H H 54 8.650 8.650 8.691 -0.041 25819 6217 1 15 . 1 1 55 55 ILE N N 55 123.973 123.973 124.124 -0.151 25819 6218 1 15 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.237 0.664 25819 6219 1 15 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.438 -1.570 25819 6220 1 15 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.505 0.913 25819 6221 1 15 . 1 1 55 55 ILE H H 55 9.082 9.082 8.477 0.605 25819 6222 1 15 . 1 1 56 56 SER N N 56 119.539 119.539 123.935 -4.396 25819 6223 1 15 . 1 1 56 56 SER HA H 56 4.387 4.387 4.737 -0.350 25819 6224 1 15 . 1 1 56 56 SER CA C 56 56.626 56.626 57.238 -0.612 25819 6225 1 15 . 1 1 56 56 SER CB C 56 63.106 63.106 64.708 -1.602 25819 6226 1 15 . 1 1 56 56 SER H H 56 7.905 7.905 8.195 -0.290 25819 6227 1 15 . 1 1 57 57 ASN N N 57 124.209 124.209 126.190 -1.981 25819 6228 1 15 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.924 0.095 25819 6229 1 15 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.290 -0.821 25819 6230 1 15 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.533 0.557 25819 6231 1 15 . 1 1 57 57 ASN H H 57 8.945 8.945 8.966 -0.021 25819 6232 1 15 . 1 1 58 58 ALA N N 58 124.300 124.300 121.687 2.613 25819 6233 1 15 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.476 -0.343 25819 6234 1 15 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.165 -0.878 25819 6235 1 15 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.232 -0.878 25819 6236 1 15 . 1 1 58 58 ALA H H 58 8.150 8.150 8.112 0.038 25819 6237 1 15 . 1 1 59 59 SER N N 59 113.299 113.299 115.141 -1.842 25819 6238 1 15 . 1 1 59 59 SER HA H 59 4.698 4.698 4.309 0.389 25819 6239 1 15 . 1 1 59 59 SER CA C 59 60.003 60.003 60.359 -0.356 25819 6240 1 15 . 1 1 59 59 SER CB C 59 62.574 62.574 63.531 -0.957 25819 6241 1 15 . 1 1 59 59 SER H H 59 8.377 8.377 8.700 -0.323 25819 6242 1 15 . 1 1 60 60 ASP N N 60 116.275 116.275 116.356 -0.081 25819 6243 1 15 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.765 -0.103 25819 6244 1 15 . 1 1 60 60 ASP CA C 60 52.759 52.759 55.224 -2.465 25819 6245 1 15 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.434 -1.722 25819 6246 1 15 . 1 1 60 60 ASP H H 60 8.311 8.311 8.311 -0.000 25819 6247 1 15 . 1 1 61 61 SER N N 61 112.649 112.649 112.351 0.298 25819 6248 1 15 . 1 1 61 61 SER HA H 61 4.630 4.630 4.462 0.168 25819 6249 1 15 . 1 1 61 61 SER CA C 61 56.180 56.180 58.449 -2.269 25819 6250 1 15 . 1 1 61 61 SER CB C 61 61.843 61.843 63.762 -1.919 25819 6251 1 15 . 1 1 61 61 SER H H 61 7.588 7.588 7.772 -0.184 25819 6252 1 15 . 1 1 62 62 HIS N N 62 119.790 119.790 122.017 -2.227 25819 6253 1 15 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.624 -0.577 25819 6254 1 15 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.598 1.321 25819 6255 1 15 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.907 -2.383 25819 6256 1 15 . 1 1 62 62 HIS H H 62 8.030 8.030 8.150 -0.120 25819 6257 1 15 . 1 1 63 63 GLY N N 63 113.301 113.301 107.821 5.480 25819 6258 1 15 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.271 -0.618 25819 6259 1 15 . 1 1 63 63 GLY H H 63 8.733 8.733 8.137 0.596 25819 6260 1 15 . 1 1 64 64 LEU N N 64 120.664 120.664 122.610 -1.946 25819 6261 1 15 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.124 -0.738 25819 6262 1 15 . 1 1 64 64 LEU CA C 64 54.893 54.893 52.885 2.008 25819 6263 1 15 . 1 1 64 64 LEU CB C 64 41.463 41.463 47.017 -5.554 25819 6264 1 15 . 1 1 64 64 LEU H H 64 7.679 7.679 8.653 -0.974 25819 6265 1 15 . 1 1 65 65 ALA N N 65 108.347 108.347 120.888 -12.541 25819 6266 1 15 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.597 0.805 25819 6267 1 15 . 1 1 65 65 ALA CA C 65 49.267 49.267 51.629 -2.362 25819 6268 1 15 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.608 -0.053 25819 6269 1 15 . 1 1 65 65 ALA H H 65 9.874 9.874 8.444 1.430 25819 6270 1 15 . 1 1 66 66 SER N N 66 115.951 115.951 119.485 -3.534 25819 6271 1 15 . 1 1 66 66 SER HA H 66 4.909 4.909 5.614 -0.705 25819 6272 1 15 . 1 1 66 66 SER CA C 66 56.645 56.645 56.621 0.024 25819 6273 1 15 . 1 1 66 66 SER CB C 66 63.823 63.823 65.179 -1.356 25819 6274 1 15 . 1 1 66 66 SER H H 66 8.938 8.938 8.780 0.158 25819 6275 1 15 . 1 1 67 67 THR N N 67 113.595 113.595 116.164 -2.569 25819 6276 1 15 . 1 1 67 67 THR HA H 67 4.649 4.649 4.704 -0.055 25819 6277 1 15 . 1 1 67 67 THR CA C 67 59.216 59.216 60.515 -1.299 25819 6278 1 15 . 1 1 67 67 THR CB C 67 69.006 69.006 70.841 -1.835 25819 6279 1 15 . 1 1 67 67 THR H H 67 8.258 8.258 8.530 -0.272 25819 6280 1 15 . 1 1 68 68 LEU N N 68 124.152 124.152 123.348 0.804 25819 6281 1 15 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.785 -0.429 25819 6282 1 15 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.508 0.604 25819 6283 1 15 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.025 0.890 25819 6284 1 15 . 1 1 68 68 LEU H H 68 8.616 8.616 7.934 0.682 25819 6285 1 15 . 1 1 69 69 ASN N N 69 115.821 115.821 115.577 0.244 25819 6286 1 15 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.833 -0.189 25819 6287 1 15 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.389 0.067 25819 6288 1 15 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.258 2.048 25819 6289 1 15 . 1 1 69 69 ASN H H 69 7.965 7.965 7.566 0.399 25819 6290 1 15 . 1 1 70 70 GLN N N 70 114.564 114.564 115.563 -0.999 25819 6291 1 15 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.668 -0.743 25819 6292 1 15 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.813 0.424 25819 6293 1 15 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.489 0.517 25819 6294 1 15 . 1 1 70 70 GLN H H 70 8.287 8.287 8.577 -0.290 25819 6295 1 15 . 1 1 71 71 GLY N N 71 108.006 108.006 108.874 -0.868 25819 6296 1 15 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.258 -1.572 25819 6297 1 15 . 1 1 71 71 GLY H H 71 8.520 8.520 8.180 0.340 25819 6298 1 15 . 1 1 72 72 ASN N N 72 117.784 117.784 118.319 -0.535 25819 6299 1 15 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.087 0.386 25819 6300 1 15 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.128 -0.437 25819 6301 1 15 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.477 -0.581 25819 6302 1 15 . 1 1 72 72 ASN H H 72 8.420 8.420 8.353 0.067 25819 6303 1 15 . 1 1 73 73 VAL N N 73 115.849 115.849 116.983 -1.134 25819 6304 1 15 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.600 -0.069 25819 6305 1 15 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.452 -0.477 25819 6306 1 15 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.460 -0.281 25819 6307 1 15 . 1 1 73 73 VAL H H 73 8.990 8.990 9.043 -0.053 25819 6308 1 15 . 1 1 74 74 LYS N N 74 123.196 123.196 122.694 0.502 25819 6309 1 15 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.640 0.516 25819 6310 1 15 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.950 -1.069 25819 6311 1 15 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.568 0.029 25819 6312 1 15 . 1 1 74 74 LYS H H 74 8.716 8.716 8.504 0.212 25819 6313 1 15 . 1 1 75 75 VAL N N 75 129.522 129.522 130.358 -0.836 25819 6314 1 15 . 1 1 75 75 VAL HA H 75 4.542 4.542 5.152 -0.610 25819 6315 1 15 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.879 -1.063 25819 6316 1 15 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.317 0.166 25819 6317 1 15 . 1 1 75 75 VAL H H 75 8.975 8.975 8.287 0.688 25819 6318 1 15 . 1 1 76 76 THR N N 76 120.548 120.548 123.446 -2.898 25819 6319 1 15 . 1 1 76 76 THR HA H 76 5.066 5.066 5.040 0.026 25819 6320 1 15 . 1 1 76 76 THR CA C 76 59.783 59.783 60.960 -1.177 25819 6321 1 15 . 1 1 76 76 THR CB C 76 70.733 70.733 71.988 -1.255 25819 6322 1 15 . 1 1 76 76 THR H H 76 8.650 8.650 8.903 -0.253 25819 6323 1 15 . 1 1 77 77 ALA N N 77 126.454 126.454 125.177 1.277 25819 6324 1 15 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.276 -0.896 25819 6325 1 15 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.409 -1.979 25819 6326 1 15 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.264 -1.720 25819 6327 1 15 . 1 1 77 77 ALA H H 77 8.674 8.674 8.633 0.041 25819 6328 1 15 . 1 1 78 78 SER N N 78 113.568 113.568 113.860 -0.292 25819 6329 1 15 . 1 1 78 78 SER HA H 78 5.376 5.376 4.698 0.678 25819 6330 1 15 . 1 1 78 78 SER CA C 78 56.077 56.077 58.440 -2.363 25819 6331 1 15 . 1 1 78 78 SER CB C 78 65.730 65.730 66.252 -0.522 25819 6332 1 15 . 1 1 78 78 SER H H 78 8.117 8.117 7.947 0.170 25819 6333 1 15 . 1 1 79 79 ILE N N 79 121.071 121.071 125.384 -4.313 25819 6334 1 15 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.361 -0.220 25819 6335 1 15 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.176 0.948 25819 6336 1 15 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.269 -1.460 25819 6337 1 15 . 1 1 79 79 ILE H H 79 8.446 8.446 7.791 0.655 25819 6338 1 15 . 1 1 80 80 GLY N N 80 117.157 117.157 116.962 0.195 25819 6339 1 15 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.262 -0.256 25819 6340 1 15 . 1 1 80 80 GLY H H 80 8.899 8.899 8.307 0.592 25819 6341 1 15 . 1 1 81 81 GLY N N 81 110.715 110.715 110.315 0.400 25819 6342 1 15 . 1 1 81 81 GLY CA C 81 44.378 44.378 43.926 0.452 25819 6343 1 15 . 1 1 81 81 GLY H H 81 8.742 8.742 7.906 0.836 25819 6344 1 15 . 1 1 82 82 ILE N N 82 124.113 124.113 117.480 6.633 25819 6345 1 15 . 1 1 82 82 ILE HA H 82 4.200 4.200 3.752 0.448 25819 6346 1 15 . 1 1 82 82 ILE CA C 82 59.033 59.033 61.372 -2.339 25819 6347 1 15 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.184 -1.407 25819 6348 1 15 . 1 1 82 82 ILE H H 82 8.188 8.188 8.287 -0.099 25819 6349 1 15 . 1 1 83 83 GLN N N 83 122.455 122.455 120.212 2.243 25819 6350 1 15 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.434 0.961 25819 6351 1 15 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.306 -1.286 25819 6352 1 15 . 1 1 83 83 GLN CB C 83 32.515 32.515 31.366 1.149 25819 6353 1 15 . 1 1 83 83 GLN H H 83 8.423 8.423 8.208 0.215 25819 6354 1 15 . 1 1 84 84 GLY N N 84 111.437 111.437 108.129 3.308 25819 6355 1 15 . 1 1 84 84 GLY H H 84 8.931 8.931 8.377 0.554 25819 6356 1 15 . 1 1 85 85 SER N N 85 113.878 113.878 117.103 -3.225 25819 6357 1 15 . 1 1 85 85 SER HA H 85 5.841 5.841 5.112 0.729 25819 6358 1 15 . 1 1 85 85 SER CA C 85 56.264 56.264 56.900 -0.636 25819 6359 1 15 . 1 1 85 85 SER CB C 85 66.946 66.946 66.167 0.779 25819 6360 1 15 . 1 1 85 85 SER H H 85 8.710 8.710 8.383 0.327 25819 6361 1 15 . 1 1 86 86 THR N N 86 115.389 115.389 116.368 -0.979 25819 6362 1 15 . 1 1 86 86 THR HA H 86 4.772 4.772 4.603 0.169 25819 6363 1 15 . 1 1 86 86 THR CA C 86 60.313 60.313 61.514 -1.201 25819 6364 1 15 . 1 1 86 86 THR CB C 86 69.852 69.852 72.044 -2.192 25819 6365 1 15 . 1 1 86 86 THR H H 86 8.854 8.854 8.938 -0.084 25819 6366 1 15 . 1 1 87 87 ASP N N 87 124.623 124.623 122.725 1.898 25819 6367 1 15 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.921 0.515 25819 6368 1 15 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.030 0.766 25819 6369 1 15 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.944 -0.934 25819 6370 1 15 . 1 1 87 87 ASP H H 87 7.953 7.953 8.298 -0.345 25819 6371 1 15 . 1 1 88 88 PHE N N 88 123.574 123.574 124.432 -0.858 25819 6372 1 15 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.405 -0.474 25819 6373 1 15 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.361 0.607 25819 6374 1 15 . 1 1 88 88 PHE CB C 88 42.884 42.884 44.069 -1.185 25819 6375 1 15 . 1 1 88 88 PHE H H 88 9.094 9.094 8.085 1.009 25819 6376 1 15 . 1 1 89 89 LYS N N 89 126.965 126.965 124.904 2.061 25819 6377 1 15 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.954 0.084 25819 6378 1 15 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.472 -1.583 25819 6379 1 15 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.304 -0.635 25819 6380 1 15 . 1 1 89 89 LYS H H 89 7.269 7.269 8.536 -1.267 25819 6381 1 15 . 1 1 90 90 VAL N N 90 126.148 126.148 129.490 -3.342 25819 6382 1 15 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.020 -0.009 25819 6383 1 15 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.517 -1.970 25819 6384 1 15 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.197 -1.249 25819 6385 1 15 . 1 1 90 90 VAL H H 90 9.086 9.086 8.574 0.512 25819 6386 1 15 . 1 1 91 91 THR N N 91 120.505 120.505 122.346 -1.841 25819 6387 1 15 . 1 1 91 91 THR HA H 91 4.568 4.568 4.631 -0.063 25819 6388 1 15 . 1 1 91 91 THR CA C 91 59.348 59.348 61.312 -1.964 25819 6389 1 15 . 1 1 91 91 THR CB C 91 68.970 68.970 70.547 -1.577 25819 6390 1 15 . 1 1 91 91 THR H H 91 8.757 8.757 8.074 0.683 25819 6391 1 16 . 1 1 2 2 PRO HA H 2 4.277 4.277 5.117 -0.840 25819 6392 1 16 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.799 -1.578 25819 6393 1 16 . 1 1 2 2 PRO CB C 2 31.416 31.416 33.646 -2.230 25819 6394 1 16 . 1 1 3 3 ALA N N 3 123.804 123.804 122.354 1.450 25819 6395 1 16 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.438 -0.232 25819 6396 1 16 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.748 -0.353 25819 6397 1 16 . 1 1 3 3 ALA CB C 3 18.840 18.840 21.113 -2.273 25819 6398 1 16 . 1 1 3 3 ALA H H 3 8.647 8.647 8.132 0.515 25819 6399 1 16 . 1 1 4 4 ALA N N 4 124.058 124.058 123.745 0.313 25819 6400 1 16 . 1 1 4 4 ALA HA H 4 4.709 4.709 5.035 -0.326 25819 6401 1 16 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.751 -0.729 25819 6402 1 16 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.262 -1.365 25819 6403 1 16 . 1 1 4 4 ALA H H 4 8.239 8.239 8.528 -0.289 25819 6404 1 16 . 1 1 5 5 LEU N N 5 124.018 124.018 119.421 4.597 25819 6405 1 16 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.738 -0.366 25819 6406 1 16 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.032 -1.024 25819 6407 1 16 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.916 -0.674 25819 6408 1 16 . 1 1 5 5 LEU H H 5 8.560 8.560 8.473 0.087 25819 6409 1 16 . 1 1 6 6 VAL N N 6 123.357 123.357 117.503 5.854 25819 6410 1 16 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.239 -0.142 25819 6411 1 16 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.492 -0.152 25819 6412 1 16 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.913 -0.966 25819 6413 1 16 . 1 1 6 6 VAL H H 6 9.119 9.119 7.993 1.126 25819 6414 1 16 . 1 1 7 7 SER N N 7 112.137 112.137 113.412 -1.275 25819 6415 1 16 . 1 1 7 7 SER HA H 7 4.445 4.445 4.554 -0.109 25819 6416 1 16 . 1 1 7 7 SER CA C 7 56.349 56.349 57.676 -1.327 25819 6417 1 16 . 1 1 7 7 SER CB C 7 64.361 64.361 66.212 -1.851 25819 6418 1 16 . 1 1 7 7 SER H H 7 7.680 7.680 7.554 0.126 25819 6419 1 16 . 1 1 8 8 ILE N N 8 118.674 118.674 121.239 -2.565 25819 6420 1 16 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.038 -0.365 25819 6421 1 16 . 1 1 8 8 ILE CA C 8 59.146 59.146 58.939 0.207 25819 6422 1 16 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.235 -0.561 25819 6423 1 16 . 1 1 8 8 ILE H H 8 8.354 8.354 8.357 -0.003 25819 6424 1 16 . 1 1 9 9 SER N N 9 121.319 121.319 124.624 -3.305 25819 6425 1 16 . 1 1 9 9 SER HA H 9 4.863 4.863 4.854 0.009 25819 6426 1 16 . 1 1 9 9 SER CA C 9 55.381 55.381 57.803 -2.422 25819 6427 1 16 . 1 1 9 9 SER CB C 9 64.243 64.243 63.164 1.079 25819 6428 1 16 . 1 1 9 9 SER H H 9 9.028 9.028 8.816 0.212 25819 6429 1 16 . 1 1 10 10 VAL N N 10 127.509 127.509 121.520 5.989 25819 6430 1 16 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.947 0.103 25819 6431 1 16 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.267 0.645 25819 6432 1 16 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.392 -1.005 25819 6433 1 16 . 1 1 10 10 VAL H H 10 8.911 8.911 8.422 0.489 25819 6434 1 16 . 1 1 11 11 SER N N 11 121.860 121.860 121.557 0.303 25819 6435 1 16 . 1 1 11 11 SER CB C 11 64.373 64.373 62.854 1.519 25819 6436 1 16 . 1 1 11 11 SER H H 11 9.206 9.206 8.543 0.663 25819 6437 1 16 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.099 0.605 25819 6438 1 16 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.365 -1.466 25819 6439 1 16 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.493 1.596 25819 6440 1 16 . 1 1 13 13 THR N N 13 116.137 116.137 118.804 -2.667 25819 6441 1 16 . 1 1 13 13 THR HA H 13 4.770 4.770 4.347 0.423 25819 6442 1 16 . 1 1 13 13 THR CA C 13 60.153 60.153 61.212 -1.059 25819 6443 1 16 . 1 1 13 13 THR CB C 13 69.426 69.426 70.064 -0.638 25819 6444 1 16 . 1 1 13 13 THR H H 13 8.679 8.679 8.416 0.263 25819 6445 1 16 . 1 1 14 14 ASN N N 14 124.457 124.457 125.004 -0.547 25819 6446 1 16 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.671 0.024 25819 6447 1 16 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.054 1.074 25819 6448 1 16 . 1 1 14 14 ASN CB C 14 36.593 36.593 37.484 -0.891 25819 6449 1 16 . 1 1 14 14 ASN H H 14 8.710 8.710 8.775 -0.065 25819 6450 1 16 . 1 1 15 15 SER N N 15 113.673 113.673 116.467 -2.794 25819 6451 1 16 . 1 1 15 15 SER HA H 15 4.648 4.648 4.629 0.019 25819 6452 1 16 . 1 1 15 15 SER CA C 15 55.644 55.644 56.651 -1.007 25819 6453 1 16 . 1 1 15 15 SER CB C 15 63.953 63.953 64.586 -0.633 25819 6454 1 16 . 1 1 15 15 SER H H 15 9.127 9.127 7.373 1.754 25819 6455 1 16 . 1 1 16 16 THR N N 16 113.579 113.579 115.870 -2.291 25819 6456 1 16 . 1 1 16 16 THR HA H 16 4.976 4.976 4.962 0.014 25819 6457 1 16 . 1 1 16 16 THR CA C 16 58.445 58.445 60.754 -2.309 25819 6458 1 16 . 1 1 16 16 THR CB C 16 70.534 70.534 70.049 0.485 25819 6459 1 16 . 1 1 16 16 THR H H 16 7.962 7.962 8.246 -0.284 25819 6460 1 16 . 1 1 17 17 VAL N N 17 121.479 121.479 123.366 -1.887 25819 6461 1 16 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.554 -0.234 25819 6462 1 16 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.715 -0.778 25819 6463 1 16 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.816 -0.412 25819 6464 1 16 . 1 1 17 17 VAL H H 17 7.969 7.969 8.765 -0.796 25819 6465 1 16 . 1 1 18 18 ALA N N 18 126.014 126.014 125.646 0.368 25819 6466 1 16 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.835 -0.660 25819 6467 1 16 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.623 -0.660 25819 6468 1 16 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.584 -0.662 25819 6469 1 16 . 1 1 18 18 ALA H H 18 7.756 7.756 8.337 -0.581 25819 6470 1 16 . 1 1 19 19 LYS N N 19 119.741 119.741 123.188 -3.447 25819 6471 1 16 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.914 -0.427 25819 6472 1 16 . 1 1 19 19 LYS CA C 19 57.772 57.772 56.808 0.964 25819 6473 1 16 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.228 -0.626 25819 6474 1 16 . 1 1 19 19 LYS H H 19 7.892 7.892 7.759 0.133 25819 6475 1 16 . 1 1 20 20 GLY N N 20 116.709 116.709 111.877 4.832 25819 6476 1 16 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.235 -1.472 25819 6477 1 16 . 1 1 20 20 GLY H H 20 8.615 8.615 8.712 -0.097 25819 6478 1 16 . 1 1 21 21 LEU N N 21 123.004 123.004 120.735 2.269 25819 6479 1 16 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.727 -0.139 25819 6480 1 16 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.825 -0.460 25819 6481 1 16 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.156 -5.194 25819 6482 1 16 . 1 1 21 21 LEU H H 21 8.013 8.013 7.649 0.364 25819 6483 1 16 . 1 1 22 22 GLN N N 22 117.503 117.503 116.576 0.927 25819 6484 1 16 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.053 0.075 25819 6485 1 16 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.465 -0.796 25819 6486 1 16 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.179 -1.265 25819 6487 1 16 . 1 1 22 22 GLN H H 22 8.223 8.223 8.161 0.062 25819 6488 1 16 . 1 1 23 23 GLU N N 23 118.126 118.126 119.722 -1.596 25819 6489 1 16 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.610 -0.047 25819 6490 1 16 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.318 -2.451 25819 6491 1 16 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.823 -0.949 25819 6492 1 16 . 1 1 23 23 GLU H H 23 8.188 8.188 8.498 -0.310 25819 6493 1 16 . 1 1 24 24 ASN N N 24 125.841 125.841 121.090 4.751 25819 6494 1 16 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.129 -0.351 25819 6495 1 16 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.899 -0.388 25819 6496 1 16 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.222 -0.476 25819 6497 1 16 . 1 1 24 24 ASN H H 24 9.390 9.390 8.639 0.751 25819 6498 1 16 . 1 1 25 25 PHE N N 25 122.824 122.824 121.628 1.196 25819 6499 1 16 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.736 -0.085 25819 6500 1 16 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.842 0.281 25819 6501 1 16 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.011 -2.952 25819 6502 1 16 . 1 1 25 25 PHE H H 25 8.061 8.061 8.703 -0.642 25819 6503 1 16 . 1 1 26 26 LYS N N 26 119.114 119.114 119.998 -0.884 25819 6504 1 16 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.605 0.639 25819 6505 1 16 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.761 -2.785 25819 6506 1 16 . 1 1 26 26 LYS CB C 26 34.661 34.661 34.953 -0.292 25819 6507 1 16 . 1 1 26 26 LYS H H 26 9.255 9.255 8.575 0.680 25819 6508 1 16 . 1 1 27 27 ALA N N 27 125.583 125.583 128.405 -2.822 25819 6509 1 16 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.339 -0.077 25819 6510 1 16 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.430 -2.613 25819 6511 1 16 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.867 -0.707 25819 6512 1 16 . 1 1 27 27 ALA H H 27 9.120 9.120 8.551 0.569 25819 6513 1 16 . 1 1 28 28 THR HA H 28 4.837 4.837 4.704 0.133 25819 6514 1 16 . 1 1 28 28 THR CA C 28 60.566 60.566 61.749 -1.183 25819 6515 1 16 . 1 1 28 28 THR CB C 28 69.478 69.478 70.587 -1.109 25819 6516 1 16 . 1 1 28 28 THR H H 28 9.062 9.062 8.356 0.706 25819 6517 1 16 . 1 1 29 29 GLY N N 29 115.789 115.789 114.993 0.796 25819 6518 1 16 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.186 0.130 25819 6519 1 16 . 1 1 29 29 GLY H H 29 9.662 9.662 9.078 0.584 25819 6520 1 16 . 1 1 30 30 ILE N N 30 123.084 123.084 123.405 -0.321 25819 6521 1 16 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.511 0.267 25819 6522 1 16 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.317 -0.929 25819 6523 1 16 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.833 -4.950 25819 6524 1 16 . 1 1 30 30 ILE H H 30 7.914 7.914 8.969 -1.055 25819 6525 1 16 . 1 1 31 31 PHE N N 31 125.209 125.209 122.259 2.950 25819 6526 1 16 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.175 0.195 25819 6527 1 16 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.350 0.137 25819 6528 1 16 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.210 -1.057 25819 6529 1 16 . 1 1 31 31 PHE H H 31 8.316 8.316 8.356 -0.040 25819 6530 1 16 . 1 1 32 32 THR N N 32 113.842 113.842 116.510 -2.668 25819 6531 1 16 . 1 1 32 32 THR HA H 32 4.404 4.404 4.082 0.322 25819 6532 1 16 . 1 1 32 32 THR CA C 32 64.157 64.157 65.522 -1.365 25819 6533 1 16 . 1 1 32 32 THR CB C 32 68.540 68.540 68.759 -0.219 25819 6534 1 16 . 1 1 32 32 THR H H 32 9.335 9.335 8.845 0.490 25819 6535 1 16 . 1 1 33 33 ASP N N 33 118.799 118.799 120.376 -1.577 25819 6536 1 16 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.715 -0.094 25819 6537 1 16 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.422 -1.459 25819 6538 1 16 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.493 -1.999 25819 6539 1 16 . 1 1 33 33 ASP H H 33 7.689 7.689 8.283 -0.594 25819 6540 1 16 . 1 1 34 34 ASN N N 34 112.993 112.993 113.946 -0.953 25819 6541 1 16 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.350 -0.002 25819 6542 1 16 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.002 0.344 25819 6543 1 16 . 1 1 34 34 ASN CB C 34 36.490 36.490 37.381 -0.891 25819 6544 1 16 . 1 1 34 34 ASN H H 34 8.370 8.370 7.937 0.433 25819 6545 1 16 . 1 1 35 35 SER N N 35 115.543 115.543 114.835 0.708 25819 6546 1 16 . 1 1 35 35 SER HA H 35 4.413 4.413 4.611 -0.198 25819 6547 1 16 . 1 1 35 35 SER CA C 35 57.882 57.882 57.431 0.451 25819 6548 1 16 . 1 1 35 35 SER CB C 35 63.770 63.770 64.520 -0.750 25819 6549 1 16 . 1 1 35 35 SER H H 35 7.990 7.990 7.998 -0.008 25819 6550 1 16 . 1 1 36 36 ASN N N 36 116.051 116.051 125.669 -9.618 25819 6551 1 16 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.491 -2.817 25819 6552 1 16 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.294 1.506 25819 6553 1 16 . 1 1 36 36 ASN H H 36 8.518 8.518 8.793 -0.275 25819 6554 1 16 . 1 1 37 37 SER N N 37 113.191 113.191 116.269 -3.078 25819 6555 1 16 . 1 1 37 37 SER HA H 37 4.715 4.715 4.840 -0.125 25819 6556 1 16 . 1 1 37 37 SER CA C 37 56.801 56.801 57.401 -0.600 25819 6557 1 16 . 1 1 37 37 SER CB C 37 64.872 64.872 66.282 -1.410 25819 6558 1 16 . 1 1 37 37 SER H H 37 8.667 8.667 9.095 -0.428 25819 6559 1 16 . 1 1 38 38 ASP N N 38 123.961 123.961 120.322 3.639 25819 6560 1 16 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.754 0.233 25819 6561 1 16 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.307 0.894 25819 6562 1 16 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.132 -1.203 25819 6563 1 16 . 1 1 38 38 ASP H H 38 8.848 8.848 8.491 0.357 25819 6564 1 16 . 1 1 39 39 ILE N N 39 121.217 121.217 116.397 4.820 25819 6565 1 16 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.822 1.049 25819 6566 1 16 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.909 -2.202 25819 6567 1 16 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.315 1.771 25819 6568 1 16 . 1 1 39 39 ILE H H 39 8.815 8.815 8.220 0.595 25819 6569 1 16 . 1 1 40 40 THR N N 40 122.868 122.868 114.283 8.585 25819 6570 1 16 . 1 1 40 40 THR HA H 40 4.288 4.288 4.197 0.091 25819 6571 1 16 . 1 1 40 40 THR CB C 40 68.527 68.527 69.245 -0.718 25819 6572 1 16 . 1 1 40 40 THR H H 40 8.679 8.679 8.246 0.433 25819 6573 1 16 . 1 1 41 41 ASP N N 41 114.082 114.082 119.313 -5.231 25819 6574 1 16 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.827 -1.129 25819 6575 1 16 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.755 -0.278 25819 6576 1 16 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.114 -1.396 25819 6577 1 16 . 1 1 41 41 ASP H H 41 8.539 8.539 8.472 0.067 25819 6578 1 16 . 1 1 42 42 GLN N N 42 117.086 117.086 116.156 0.930 25819 6579 1 16 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.005 0.146 25819 6580 1 16 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.804 -0.268 25819 6581 1 16 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.014 3.202 25819 6582 1 16 . 1 1 42 42 GLN H H 42 7.718 7.718 7.366 0.352 25819 6583 1 16 . 1 1 43 43 VAL N N 43 109.916 109.916 121.021 -11.105 25819 6584 1 16 . 1 1 43 43 VAL HA H 43 4.089 4.089 3.871 0.218 25819 6585 1 16 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.480 -4.639 25819 6586 1 16 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.465 -1.192 25819 6587 1 16 . 1 1 43 43 VAL H H 43 6.902 6.902 8.188 -1.286 25819 6588 1 16 . 1 1 44 44 THR N N 44 116.273 116.273 126.767 -10.494 25819 6589 1 16 . 1 1 44 44 THR HA H 44 4.315 4.315 4.411 -0.096 25819 6590 1 16 . 1 1 44 44 THR CA C 44 61.651 61.651 62.382 -0.731 25819 6591 1 16 . 1 1 44 44 THR CB C 44 68.890 68.890 68.888 0.002 25819 6592 1 16 . 1 1 44 44 THR H H 44 8.787 8.787 7.971 0.816 25819 6593 1 16 . 1 1 45 45 TRP N N 45 132.098 132.098 124.660 7.438 25819 6594 1 16 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.882 0.363 25819 6595 1 16 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.917 0.470 25819 6596 1 16 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.333 -1.256 25819 6597 1 16 . 1 1 45 45 TRP H H 45 10.351 10.351 7.868 2.483 25819 6598 1 16 . 1 1 46 46 ASP N N 46 121.897 121.897 121.864 0.033 25819 6599 1 16 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.981 -0.124 25819 6600 1 16 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.468 -0.671 25819 6601 1 16 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.478 0.597 25819 6602 1 16 . 1 1 46 46 ASP H H 46 9.471 9.471 8.443 1.028 25819 6603 1 16 . 1 1 47 47 SER N N 47 113.803 113.803 118.616 -4.813 25819 6604 1 16 . 1 1 47 47 SER HA H 47 5.043 5.043 5.438 -0.395 25819 6605 1 16 . 1 1 47 47 SER CA C 47 53.059 53.059 56.696 -3.637 25819 6606 1 16 . 1 1 47 47 SER CB C 47 64.880 64.880 65.217 -0.337 25819 6607 1 16 . 1 1 47 47 SER H H 47 8.502 8.502 8.541 -0.039 25819 6608 1 16 . 1 1 48 48 SER N N 48 119.614 119.614 118.424 1.190 25819 6609 1 16 . 1 1 48 48 SER HA H 48 4.264 4.264 4.396 -0.132 25819 6610 1 16 . 1 1 48 48 SER CA C 48 59.404 59.404 59.549 -0.145 25819 6611 1 16 . 1 1 48 48 SER CB C 48 62.026 62.026 63.670 -1.644 25819 6612 1 16 . 1 1 48 48 SER H H 48 8.517 8.517 8.718 -0.201 25819 6613 1 16 . 1 1 49 49 ASN N N 49 118.259 118.259 116.353 1.906 25819 6614 1 16 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.546 0.352 25819 6615 1 16 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.117 -1.276 25819 6616 1 16 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.991 -1.271 25819 6617 1 16 . 1 1 49 49 ASN H H 49 7.816 7.816 8.067 -0.251 25819 6618 1 16 . 1 1 50 50 THR N N 50 119.289 119.289 116.256 3.033 25819 6619 1 16 . 1 1 50 50 THR HA H 50 4.541 4.541 4.519 0.022 25819 6620 1 16 . 1 1 50 50 THR CA C 50 62.137 62.137 63.012 -0.875 25819 6621 1 16 . 1 1 50 50 THR CB C 50 67.100 67.100 70.079 -2.979 25819 6622 1 16 . 1 1 50 50 THR H H 50 9.049 9.049 7.961 1.088 25819 6623 1 16 . 1 1 51 51 ASP N N 51 118.825 118.825 119.694 -0.869 25819 6624 1 16 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.710 -0.124 25819 6625 1 16 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.655 0.035 25819 6626 1 16 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.934 -3.276 25819 6627 1 16 . 1 1 51 51 ASP H H 51 8.251 8.251 7.901 0.350 25819 6628 1 16 . 1 1 52 52 ILE N N 52 118.411 118.411 119.912 -1.501 25819 6629 1 16 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.362 -0.437 25819 6630 1 16 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.977 0.704 25819 6631 1 16 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.135 -0.239 25819 6632 1 16 . 1 1 52 52 ILE H H 52 7.169 7.169 7.674 -0.505 25819 6633 1 16 . 1 1 53 53 LEU N N 53 120.128 120.128 123.437 -3.309 25819 6634 1 16 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.914 0.107 25819 6635 1 16 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.360 -0.079 25819 6636 1 16 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.208 1.197 25819 6637 1 16 . 1 1 53 53 LEU H H 53 7.876 7.876 7.992 -0.117 25819 6638 1 16 . 1 1 54 54 SER N N 54 122.251 122.251 116.884 5.367 25819 6639 1 16 . 1 1 54 54 SER HA H 54 4.959 4.959 4.778 0.181 25819 6640 1 16 . 1 1 54 54 SER CA C 54 54.724 54.724 56.972 -2.248 25819 6641 1 16 . 1 1 54 54 SER CB C 54 64.417 64.417 65.767 -1.350 25819 6642 1 16 . 1 1 54 54 SER H H 54 8.650 8.650 8.662 -0.012 25819 6643 1 16 . 1 1 55 55 ILE N N 55 123.973 123.973 124.503 -0.530 25819 6644 1 16 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.185 0.716 25819 6645 1 16 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.117 -0.249 25819 6646 1 16 . 1 1 55 55 ILE CB C 55 41.418 41.418 38.782 2.636 25819 6647 1 16 . 1 1 55 55 ILE H H 55 9.082 9.082 8.365 0.717 25819 6648 1 16 . 1 1 56 56 SER N N 56 119.539 119.539 121.905 -2.366 25819 6649 1 16 . 1 1 56 56 SER HA H 56 4.387 4.387 4.078 0.309 25819 6650 1 16 . 1 1 56 56 SER CA C 56 56.626 56.626 57.493 -0.867 25819 6651 1 16 . 1 1 56 56 SER CB C 56 63.106 63.106 65.445 -2.339 25819 6652 1 16 . 1 1 56 56 SER H H 56 7.905 7.905 8.368 -0.463 25819 6653 1 16 . 1 1 57 57 ASN N N 57 124.209 124.209 123.454 0.755 25819 6654 1 16 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.890 0.129 25819 6655 1 16 . 1 1 57 57 ASN CA C 57 52.469 52.469 54.534 -2.065 25819 6656 1 16 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.549 0.541 25819 6657 1 16 . 1 1 57 57 ASN H H 57 8.945 8.945 8.374 0.571 25819 6658 1 16 . 1 1 58 58 ALA N N 58 124.300 124.300 123.041 1.259 25819 6659 1 16 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.339 -0.206 25819 6660 1 16 . 1 1 58 58 ALA CA C 58 51.287 51.287 53.752 -2.465 25819 6661 1 16 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.373 -0.020 25819 6662 1 16 . 1 1 58 58 ALA H H 58 8.150 8.150 8.480 -0.330 25819 6663 1 16 . 1 1 59 59 SER N N 59 113.299 113.299 112.543 0.756 25819 6664 1 16 . 1 1 59 59 SER HA H 59 4.698 4.698 4.208 0.490 25819 6665 1 16 . 1 1 59 59 SER CA C 59 60.003 60.003 60.745 -0.742 25819 6666 1 16 . 1 1 59 59 SER CB C 59 62.574 62.574 63.353 -0.779 25819 6667 1 16 . 1 1 59 59 SER H H 59 8.377 8.377 8.202 0.175 25819 6668 1 16 . 1 1 60 60 ASP N N 60 116.275 116.275 115.693 0.582 25819 6669 1 16 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.729 -0.067 25819 6670 1 16 . 1 1 60 60 ASP CA C 60 52.759 52.759 55.113 -2.354 25819 6671 1 16 . 1 1 60 60 ASP CB C 60 39.712 39.712 43.084 -3.372 25819 6672 1 16 . 1 1 60 60 ASP H H 60 8.311 8.311 7.665 0.646 25819 6673 1 16 . 1 1 61 61 SER N N 61 112.649 112.649 112.265 0.384 25819 6674 1 16 . 1 1 61 61 SER HA H 61 4.630 4.630 4.350 0.280 25819 6675 1 16 . 1 1 61 61 SER CA C 61 56.180 56.180 58.710 -2.530 25819 6676 1 16 . 1 1 61 61 SER CB C 61 61.843 61.843 63.599 -1.756 25819 6677 1 16 . 1 1 61 61 SER H H 61 7.588 7.588 7.724 -0.136 25819 6678 1 16 . 1 1 62 62 HIS N N 62 119.790 119.790 121.658 -1.868 25819 6679 1 16 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.537 -0.490 25819 6680 1 16 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.073 1.846 25819 6681 1 16 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.245 -1.721 25819 6682 1 16 . 1 1 62 62 HIS H H 62 8.030 8.030 7.628 0.402 25819 6683 1 16 . 1 1 63 63 GLY N N 63 113.301 113.301 107.409 5.892 25819 6684 1 16 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.767 -1.115 25819 6685 1 16 . 1 1 63 63 GLY H H 63 8.733 8.733 8.409 0.324 25819 6686 1 16 . 1 1 64 64 LEU N N 64 120.664 120.664 124.004 -3.340 25819 6687 1 16 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.961 -0.575 25819 6688 1 16 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.786 0.107 25819 6689 1 16 . 1 1 64 64 LEU CB C 64 41.463 41.463 46.801 -5.338 25819 6690 1 16 . 1 1 64 64 LEU H H 64 7.679 7.679 8.125 -0.446 25819 6691 1 16 . 1 1 65 65 ALA N N 65 108.347 108.347 123.763 -15.416 25819 6692 1 16 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.645 0.757 25819 6693 1 16 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.926 -1.659 25819 6694 1 16 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.515 0.040 25819 6695 1 16 . 1 1 65 65 ALA H H 65 9.874 9.874 8.766 1.108 25819 6696 1 16 . 1 1 66 66 SER N N 66 115.951 115.951 119.299 -3.348 25819 6697 1 16 . 1 1 66 66 SER HA H 66 4.909 4.909 5.346 -0.437 25819 6698 1 16 . 1 1 66 66 SER CA C 66 56.645 56.645 56.042 0.603 25819 6699 1 16 . 1 1 66 66 SER CB C 66 63.823 63.823 64.942 -1.119 25819 6700 1 16 . 1 1 66 66 SER H H 66 8.938 8.938 8.759 0.179 25819 6701 1 16 . 1 1 67 67 THR N N 67 113.595 113.595 115.794 -2.199 25819 6702 1 16 . 1 1 67 67 THR HA H 67 4.649 4.649 4.703 -0.054 25819 6703 1 16 . 1 1 67 67 THR CA C 67 59.216 59.216 61.002 -1.786 25819 6704 1 16 . 1 1 67 67 THR CB C 67 69.006 69.006 71.833 -2.827 25819 6705 1 16 . 1 1 67 67 THR H H 67 8.258 8.258 8.656 -0.398 25819 6706 1 16 . 1 1 68 68 LEU N N 68 124.152 124.152 120.737 3.415 25819 6707 1 16 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.636 -0.280 25819 6708 1 16 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.280 -0.168 25819 6709 1 16 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.194 0.722 25819 6710 1 16 . 1 1 68 68 LEU H H 68 8.616 8.616 8.533 0.083 25819 6711 1 16 . 1 1 69 69 ASN N N 69 115.821 115.821 114.722 1.099 25819 6712 1 16 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.868 -0.224 25819 6713 1 16 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.614 -0.158 25819 6714 1 16 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.028 1.278 25819 6715 1 16 . 1 1 69 69 ASN H H 69 7.965 7.965 7.808 0.157 25819 6716 1 16 . 1 1 70 70 GLN N N 70 114.564 114.564 119.236 -4.672 25819 6717 1 16 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.872 -0.947 25819 6718 1 16 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.727 -0.490 25819 6719 1 16 . 1 1 70 70 GLN CB C 70 29.006 29.006 29.106 -0.100 25819 6720 1 16 . 1 1 70 70 GLN H H 70 8.287 8.287 8.715 -0.428 25819 6721 1 16 . 1 1 71 71 GLY N N 71 108.006 108.006 108.721 -0.715 25819 6722 1 16 . 1 1 71 71 GLY CA C 71 43.686 43.686 43.929 -0.243 25819 6723 1 16 . 1 1 71 71 GLY H H 71 8.520 8.520 7.703 0.817 25819 6724 1 16 . 1 1 72 72 ASN N N 72 117.784 117.784 118.985 -1.201 25819 6725 1 16 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.933 0.540 25819 6726 1 16 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.497 -0.806 25819 6727 1 16 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.895 -0.999 25819 6728 1 16 . 1 1 72 72 ASN H H 72 8.420 8.420 8.263 0.157 25819 6729 1 16 . 1 1 73 73 VAL N N 73 115.849 115.849 122.695 -6.846 25819 6730 1 16 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.306 0.225 25819 6731 1 16 . 1 1 73 73 VAL CA C 73 58.975 58.975 61.221 -2.246 25819 6732 1 16 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.861 0.319 25819 6733 1 16 . 1 1 73 73 VAL H H 73 8.990 8.990 9.163 -0.173 25819 6734 1 16 . 1 1 74 74 LYS N N 74 123.196 123.196 126.970 -3.774 25819 6735 1 16 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.608 0.548 25819 6736 1 16 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.946 -1.065 25819 6737 1 16 . 1 1 74 74 LYS CB C 74 33.597 33.597 32.853 0.744 25819 6738 1 16 . 1 1 74 74 LYS H H 74 8.716 8.716 8.686 0.030 25819 6739 1 16 . 1 1 75 75 VAL N N 75 129.522 129.522 129.720 -0.198 25819 6740 1 16 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.726 -0.184 25819 6741 1 16 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.879 -1.062 25819 6742 1 16 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.301 0.182 25819 6743 1 16 . 1 1 75 75 VAL H H 75 8.975 8.975 8.331 0.644 25819 6744 1 16 . 1 1 76 76 THR N N 76 120.548 120.548 124.794 -4.246 25819 6745 1 16 . 1 1 76 76 THR HA H 76 5.066 5.066 4.739 0.327 25819 6746 1 16 . 1 1 76 76 THR CA C 76 59.783 59.783 61.427 -1.644 25819 6747 1 16 . 1 1 76 76 THR CB C 76 70.733 70.733 71.083 -0.350 25819 6748 1 16 . 1 1 76 76 THR H H 76 8.650 8.650 8.686 -0.036 25819 6749 1 16 . 1 1 77 77 ALA N N 77 126.454 126.454 128.641 -2.187 25819 6750 1 16 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.259 -0.879 25819 6751 1 16 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.119 -1.689 25819 6752 1 16 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.823 -2.279 25819 6753 1 16 . 1 1 77 77 ALA H H 77 8.674 8.674 8.629 0.045 25819 6754 1 16 . 1 1 78 78 SER N N 78 113.568 113.568 115.059 -1.491 25819 6755 1 16 . 1 1 78 78 SER HA H 78 5.376 5.376 5.016 0.360 25819 6756 1 16 . 1 1 78 78 SER CA C 78 56.077 56.077 57.396 -1.319 25819 6757 1 16 . 1 1 78 78 SER CB C 78 65.730 65.730 65.441 0.289 25819 6758 1 16 . 1 1 78 78 SER H H 78 8.117 8.117 8.218 -0.101 25819 6759 1 16 . 1 1 79 79 ILE N N 79 121.071 121.071 124.163 -3.092 25819 6760 1 16 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.431 -0.290 25819 6761 1 16 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.240 1.884 25819 6762 1 16 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.837 -3.028 25819 6763 1 16 . 1 1 79 79 ILE H H 79 8.446 8.446 7.567 0.879 25819 6764 1 16 . 1 1 80 80 GLY N N 80 117.157 117.157 112.739 4.418 25819 6765 1 16 . 1 1 80 80 GLY CA C 80 46.006 46.006 47.096 -1.090 25819 6766 1 16 . 1 1 80 80 GLY H H 80 8.899 8.899 8.716 0.183 25819 6767 1 16 . 1 1 81 81 GLY N N 81 110.715 110.715 109.627 1.088 25819 6768 1 16 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.612 -1.234 25819 6769 1 16 . 1 1 81 81 GLY H H 81 8.742 8.742 7.803 0.939 25819 6770 1 16 . 1 1 82 82 ILE N N 82 124.113 124.113 116.778 7.335 25819 6771 1 16 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.272 -0.072 25819 6772 1 16 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.274 -1.241 25819 6773 1 16 . 1 1 82 82 ILE CB C 82 36.777 36.777 41.249 -4.472 25819 6774 1 16 . 1 1 82 82 ILE H H 82 8.188 8.188 7.528 0.660 25819 6775 1 16 . 1 1 83 83 GLN N N 83 122.455 122.455 121.290 1.165 25819 6776 1 16 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.565 0.830 25819 6777 1 16 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.267 -1.247 25819 6778 1 16 . 1 1 83 83 GLN CB C 83 32.515 32.515 31.990 0.525 25819 6779 1 16 . 1 1 83 83 GLN H H 83 8.423 8.423 8.359 0.064 25819 6780 1 16 . 1 1 84 84 GLY N N 84 111.437 111.437 107.396 4.041 25819 6781 1 16 . 1 1 84 84 GLY H H 84 8.931 8.931 8.545 0.386 25819 6782 1 16 . 1 1 85 85 SER N N 85 113.878 113.878 114.182 -0.304 25819 6783 1 16 . 1 1 85 85 SER HA H 85 5.841 5.841 5.346 0.495 25819 6784 1 16 . 1 1 85 85 SER CA C 85 56.264 56.264 57.074 -0.810 25819 6785 1 16 . 1 1 85 85 SER CB C 85 66.946 66.946 66.893 0.053 25819 6786 1 16 . 1 1 85 85 SER H H 85 8.710 8.710 8.351 0.359 25819 6787 1 16 . 1 1 86 86 THR N N 86 115.389 115.389 114.989 0.400 25819 6788 1 16 . 1 1 86 86 THR HA H 86 4.772 4.772 4.604 0.168 25819 6789 1 16 . 1 1 86 86 THR CA C 86 60.313 60.313 61.691 -1.378 25819 6790 1 16 . 1 1 86 86 THR CB C 86 69.852 69.852 71.271 -1.419 25819 6791 1 16 . 1 1 86 86 THR H H 86 8.854 8.854 9.029 -0.175 25819 6792 1 16 . 1 1 87 87 ASP N N 87 124.623 124.623 121.873 2.750 25819 6793 1 16 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.852 0.584 25819 6794 1 16 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.336 0.460 25819 6795 1 16 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.583 -0.573 25819 6796 1 16 . 1 1 87 87 ASP H H 87 7.953 7.953 8.356 -0.403 25819 6797 1 16 . 1 1 88 88 PHE N N 88 123.574 123.574 125.808 -2.234 25819 6798 1 16 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.416 -0.485 25819 6799 1 16 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.525 0.443 25819 6800 1 16 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.900 -0.016 25819 6801 1 16 . 1 1 88 88 PHE H H 88 9.094 9.094 8.761 0.333 25819 6802 1 16 . 1 1 89 89 LYS N N 89 126.965 126.965 126.636 0.329 25819 6803 1 16 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.703 0.335 25819 6804 1 16 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.218 -1.329 25819 6805 1 16 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.044 0.625 25819 6806 1 16 . 1 1 89 89 LYS H H 89 7.269 7.269 8.482 -1.213 25819 6807 1 16 . 1 1 90 90 VAL N N 90 126.148 126.148 129.490 -3.342 25819 6808 1 16 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.202 -0.191 25819 6809 1 16 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.196 -0.649 25819 6810 1 16 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.880 -1.932 25819 6811 1 16 . 1 1 90 90 VAL H H 90 9.086 9.086 8.245 0.841 25819 6812 1 16 . 1 1 91 91 THR N N 91 120.505 120.505 125.220 -4.715 25819 6813 1 16 . 1 1 91 91 THR HA H 91 4.568 4.568 4.794 -0.226 25819 6814 1 16 . 1 1 91 91 THR CA C 91 59.348 59.348 60.817 -1.469 25819 6815 1 16 . 1 1 91 91 THR CB C 91 68.970 68.970 72.255 -3.285 25819 6816 1 16 . 1 1 91 91 THR H H 91 8.757 8.757 8.695 0.062 25819 6817 1 17 . 1 1 2 2 PRO HA H 2 4.277 4.277 5.198 -0.921 25819 6818 1 17 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.699 -1.478 25819 6819 1 17 . 1 1 2 2 PRO CB C 2 31.416 31.416 33.081 -1.665 25819 6820 1 17 . 1 1 3 3 ALA N N 3 123.804 123.804 122.658 1.146 25819 6821 1 17 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.470 -0.264 25819 6822 1 17 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.863 -0.468 25819 6823 1 17 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.252 -1.412 25819 6824 1 17 . 1 1 3 3 ALA H H 3 8.647 8.647 7.986 0.661 25819 6825 1 17 . 1 1 4 4 ALA N N 4 124.058 124.058 122.477 1.581 25819 6826 1 17 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.957 -0.248 25819 6827 1 17 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.042 -1.020 25819 6828 1 17 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.430 -0.533 25819 6829 1 17 . 1 1 4 4 ALA H H 4 8.239 8.239 8.454 -0.215 25819 6830 1 17 . 1 1 5 5 LEU N N 5 124.018 124.018 121.069 2.949 25819 6831 1 17 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.236 -0.864 25819 6832 1 17 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.567 -0.559 25819 6833 1 17 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.176 0.066 25819 6834 1 17 . 1 1 5 5 LEU H H 5 8.560 8.560 8.505 0.055 25819 6835 1 17 . 1 1 6 6 VAL N N 6 123.357 123.357 118.865 4.492 25819 6836 1 17 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.144 -0.047 25819 6837 1 17 . 1 1 6 6 VAL CA C 6 62.340 62.340 63.187 -0.847 25819 6838 1 17 . 1 1 6 6 VAL CB C 6 32.948 32.948 34.044 -1.096 25819 6839 1 17 . 1 1 6 6 VAL H H 6 9.119 9.119 8.310 0.809 25819 6840 1 17 . 1 1 7 7 SER N N 7 112.137 112.137 113.881 -1.744 25819 6841 1 17 . 1 1 7 7 SER HA H 7 4.445 4.445 5.075 -0.630 25819 6842 1 17 . 1 1 7 7 SER CA C 7 56.349 56.349 57.076 -0.727 25819 6843 1 17 . 1 1 7 7 SER CB C 7 64.361 64.361 66.013 -1.652 25819 6844 1 17 . 1 1 7 7 SER H H 7 7.680 7.680 7.790 -0.110 25819 6845 1 17 . 1 1 8 8 ILE N N 8 118.674 118.674 115.319 3.355 25819 6846 1 17 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.246 -0.573 25819 6847 1 17 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.637 -0.491 25819 6848 1 17 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.437 -0.763 25819 6849 1 17 . 1 1 8 8 ILE H H 8 8.354 8.354 8.116 0.238 25819 6850 1 17 . 1 1 9 9 SER N N 9 121.319 121.319 120.708 0.611 25819 6851 1 17 . 1 1 9 9 SER HA H 9 4.863 4.863 4.943 -0.080 25819 6852 1 17 . 1 1 9 9 SER CA C 9 55.381 55.381 57.476 -2.095 25819 6853 1 17 . 1 1 9 9 SER CB C 9 64.243 64.243 63.931 0.312 25819 6854 1 17 . 1 1 9 9 SER H H 9 9.028 9.028 8.569 0.459 25819 6855 1 17 . 1 1 10 10 VAL N N 10 127.509 127.509 120.952 6.557 25819 6856 1 17 . 1 1 10 10 VAL HA H 10 5.050 5.050 5.080 -0.030 25819 6857 1 17 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.744 1.168 25819 6858 1 17 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.003 -0.616 25819 6859 1 17 . 1 1 10 10 VAL H H 10 8.911 8.911 8.587 0.324 25819 6860 1 17 . 1 1 11 11 SER N N 11 121.860 121.860 121.105 0.755 25819 6861 1 17 . 1 1 11 11 SER CB C 11 64.373 64.373 62.910 1.463 25819 6862 1 17 . 1 1 11 11 SER H H 11 9.206 9.206 8.380 0.826 25819 6863 1 17 . 1 1 12 12 PRO HA H 12 4.704 4.704 3.980 0.724 25819 6864 1 17 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.413 -1.514 25819 6865 1 17 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.431 1.658 25819 6866 1 17 . 1 1 13 13 THR N N 13 116.137 116.137 117.384 -1.247 25819 6867 1 17 . 1 1 13 13 THR HA H 13 4.770 4.770 4.393 0.377 25819 6868 1 17 . 1 1 13 13 THR CA C 13 60.153 60.153 61.353 -1.200 25819 6869 1 17 . 1 1 13 13 THR CB C 13 69.426 69.426 69.739 -0.313 25819 6870 1 17 . 1 1 13 13 THR H H 13 8.679 8.679 8.191 0.488 25819 6871 1 17 . 1 1 14 14 ASN N N 14 124.457 124.457 125.621 -1.164 25819 6872 1 17 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.181 -0.486 25819 6873 1 17 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.208 0.920 25819 6874 1 17 . 1 1 14 14 ASN CB C 14 36.593 36.593 37.433 -0.840 25819 6875 1 17 . 1 1 14 14 ASN H H 14 8.710 8.710 8.918 -0.208 25819 6876 1 17 . 1 1 15 15 SER N N 15 113.673 113.673 116.802 -3.129 25819 6877 1 17 . 1 1 15 15 SER HA H 15 4.648 4.648 4.639 0.009 25819 6878 1 17 . 1 1 15 15 SER CA C 15 55.644 55.644 57.534 -1.890 25819 6879 1 17 . 1 1 15 15 SER CB C 15 63.953 63.953 64.922 -0.969 25819 6880 1 17 . 1 1 15 15 SER H H 15 9.127 9.127 7.779 1.348 25819 6881 1 17 . 1 1 16 16 THR N N 16 113.579 113.579 114.498 -0.919 25819 6882 1 17 . 1 1 16 16 THR HA H 16 4.976 4.976 5.138 -0.162 25819 6883 1 17 . 1 1 16 16 THR CA C 16 58.445 58.445 60.759 -2.314 25819 6884 1 17 . 1 1 16 16 THR CB C 16 70.534 70.534 70.388 0.146 25819 6885 1 17 . 1 1 16 16 THR H H 16 7.962 7.962 8.281 -0.319 25819 6886 1 17 . 1 1 17 17 VAL N N 17 121.479 121.479 124.343 -2.864 25819 6887 1 17 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.585 -0.265 25819 6888 1 17 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.742 -0.805 25819 6889 1 17 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.791 -0.387 25819 6890 1 17 . 1 1 17 17 VAL H H 17 7.969 7.969 8.298 -0.329 25819 6891 1 17 . 1 1 18 18 ALA N N 18 126.014 126.014 127.258 -1.244 25819 6892 1 17 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.472 -0.297 25819 6893 1 17 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.585 -1.622 25819 6894 1 17 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.523 -0.601 25819 6895 1 17 . 1 1 18 18 ALA H H 18 7.756 7.756 8.330 -0.574 25819 6896 1 17 . 1 1 19 19 LYS N N 19 119.741 119.741 122.336 -2.595 25819 6897 1 17 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.073 -0.586 25819 6898 1 17 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.581 0.191 25819 6899 1 17 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.636 -1.034 25819 6900 1 17 . 1 1 19 19 LYS H H 19 7.892 7.892 8.099 -0.207 25819 6901 1 17 . 1 1 20 20 GLY N N 20 116.709 116.709 113.105 3.604 25819 6902 1 17 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.259 -1.496 25819 6903 1 17 . 1 1 20 20 GLY H H 20 8.615 8.615 8.778 -0.163 25819 6904 1 17 . 1 1 21 21 LEU N N 21 123.004 123.004 122.812 0.192 25819 6905 1 17 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.526 0.062 25819 6906 1 17 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.432 -1.067 25819 6907 1 17 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.894 -4.932 25819 6908 1 17 . 1 1 21 21 LEU H H 21 8.013 8.013 7.809 0.204 25819 6909 1 17 . 1 1 22 22 GLN N N 22 117.503 117.503 118.093 -0.590 25819 6910 1 17 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.244 -0.116 25819 6911 1 17 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.579 -0.910 25819 6912 1 17 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.296 -0.382 25819 6913 1 17 . 1 1 22 22 GLN H H 22 8.223 8.223 8.404 -0.181 25819 6914 1 17 . 1 1 23 23 GLU N N 23 118.126 118.126 120.322 -2.196 25819 6915 1 17 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.666 -0.103 25819 6916 1 17 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.492 -2.625 25819 6917 1 17 . 1 1 23 23 GLU CB C 23 32.874 32.874 34.157 -1.283 25819 6918 1 17 . 1 1 23 23 GLU H H 23 8.188 8.188 8.827 -0.639 25819 6919 1 17 . 1 1 24 24 ASN N N 24 125.841 125.841 121.172 4.669 25819 6920 1 17 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.541 -0.763 25819 6921 1 17 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.825 -0.314 25819 6922 1 17 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.405 -0.659 25819 6923 1 17 . 1 1 24 24 ASN H H 24 9.390 9.390 8.561 0.829 25819 6924 1 17 . 1 1 25 25 PHE N N 25 122.824 122.824 123.946 -1.122 25819 6925 1 17 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.570 0.081 25819 6926 1 17 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.715 0.409 25819 6927 1 17 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.223 -3.164 25819 6928 1 17 . 1 1 25 25 PHE H H 25 8.061 8.061 8.891 -0.830 25819 6929 1 17 . 1 1 26 26 LYS N N 26 119.114 119.114 126.889 -7.775 25819 6930 1 17 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.805 0.439 25819 6931 1 17 . 1 1 26 26 LYS CA C 26 52.976 52.976 54.643 -1.667 25819 6932 1 17 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.115 -1.454 25819 6933 1 17 . 1 1 26 26 LYS H H 26 9.255 9.255 8.537 0.718 25819 6934 1 17 . 1 1 27 27 ALA N N 27 125.583 125.583 127.478 -1.895 25819 6935 1 17 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.484 -0.222 25819 6936 1 17 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.009 -2.192 25819 6937 1 17 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.226 -1.066 25819 6938 1 17 . 1 1 27 27 ALA H H 27 9.120 9.120 8.580 0.540 25819 6939 1 17 . 1 1 28 28 THR HA H 28 4.837 4.837 4.713 0.124 25819 6940 1 17 . 1 1 28 28 THR CA C 28 60.566 60.566 61.458 -0.892 25819 6941 1 17 . 1 1 28 28 THR CB C 28 69.478 69.478 70.490 -1.012 25819 6942 1 17 . 1 1 28 28 THR H H 28 9.062 9.062 8.418 0.644 25819 6943 1 17 . 1 1 29 29 GLY N N 29 115.789 115.789 113.774 2.015 25819 6944 1 17 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.988 0.328 25819 6945 1 17 . 1 1 29 29 GLY H H 29 9.662 9.662 8.902 0.760 25819 6946 1 17 . 1 1 30 30 ILE N N 30 123.084 123.084 122.075 1.009 25819 6947 1 17 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.553 0.225 25819 6948 1 17 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.227 1.161 25819 6949 1 17 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.849 -3.966 25819 6950 1 17 . 1 1 30 30 ILE H H 30 7.914 7.914 8.667 -0.753 25819 6951 1 17 . 1 1 31 31 PHE N N 31 125.209 125.209 121.503 3.706 25819 6952 1 17 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.044 0.326 25819 6953 1 17 . 1 1 31 31 PHE CA C 31 56.487 56.487 57.032 -0.545 25819 6954 1 17 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.520 -1.367 25819 6955 1 17 . 1 1 31 31 PHE H H 31 8.316 8.316 8.317 -0.001 25819 6956 1 17 . 1 1 32 32 THR N N 32 113.842 113.842 115.959 -2.117 25819 6957 1 17 . 1 1 32 32 THR HA H 32 4.404 4.404 4.187 0.217 25819 6958 1 17 . 1 1 32 32 THR CA C 32 64.157 64.157 64.564 -0.407 25819 6959 1 17 . 1 1 32 32 THR CB C 32 68.540 68.540 69.005 -0.465 25819 6960 1 17 . 1 1 32 32 THR H H 32 9.335 9.335 9.059 0.276 25819 6961 1 17 . 1 1 33 33 ASP N N 33 118.799 118.799 120.022 -1.223 25819 6962 1 17 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.740 -0.119 25819 6963 1 17 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.604 -1.641 25819 6964 1 17 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.679 -2.185 25819 6965 1 17 . 1 1 33 33 ASP H H 33 7.689 7.689 8.509 -0.820 25819 6966 1 17 . 1 1 34 34 ASN N N 34 112.993 112.993 114.535 -1.542 25819 6967 1 17 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.416 -0.068 25819 6968 1 17 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.670 -0.324 25819 6969 1 17 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.294 0.196 25819 6970 1 17 . 1 1 34 34 ASN H H 34 8.370 8.370 7.940 0.430 25819 6971 1 17 . 1 1 35 35 SER N N 35 115.543 115.543 115.311 0.232 25819 6972 1 17 . 1 1 35 35 SER HA H 35 4.413 4.413 4.630 -0.217 25819 6973 1 17 . 1 1 35 35 SER CA C 35 57.882 57.882 56.751 1.131 25819 6974 1 17 . 1 1 35 35 SER CB C 35 63.770 63.770 64.051 -0.281 25819 6975 1 17 . 1 1 35 35 SER H H 35 7.990 7.990 7.871 0.119 25819 6976 1 17 . 1 1 36 36 ASN N N 36 116.051 116.051 125.766 -9.715 25819 6977 1 17 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.477 -2.803 25819 6978 1 17 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.184 1.615 25819 6979 1 17 . 1 1 36 36 ASN H H 36 8.518 8.518 8.878 -0.360 25819 6980 1 17 . 1 1 37 37 SER N N 37 113.191 113.191 116.606 -3.415 25819 6981 1 17 . 1 1 37 37 SER HA H 37 4.715 4.715 4.862 -0.147 25819 6982 1 17 . 1 1 37 37 SER CA C 37 56.801 56.801 57.056 -0.255 25819 6983 1 17 . 1 1 37 37 SER CB C 37 64.872 64.872 66.482 -1.610 25819 6984 1 17 . 1 1 37 37 SER H H 37 8.667 8.667 9.046 -0.379 25819 6985 1 17 . 1 1 38 38 ASP N N 38 123.961 123.961 120.956 3.005 25819 6986 1 17 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.744 0.243 25819 6987 1 17 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.475 0.726 25819 6988 1 17 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.034 -1.105 25819 6989 1 17 . 1 1 38 38 ASP H H 38 8.848 8.848 8.499 0.349 25819 6990 1 17 . 1 1 39 39 ILE N N 39 121.217 121.217 116.272 4.945 25819 6991 1 17 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.797 1.074 25819 6992 1 17 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.745 -2.038 25819 6993 1 17 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.057 2.029 25819 6994 1 17 . 1 1 39 39 ILE H H 39 8.815 8.815 8.326 0.489 25819 6995 1 17 . 1 1 40 40 THR N N 40 122.868 122.868 115.038 7.830 25819 6996 1 17 . 1 1 40 40 THR HA H 40 4.288 4.288 4.150 0.138 25819 6997 1 17 . 1 1 40 40 THR CB C 40 68.527 68.527 69.359 -0.832 25819 6998 1 17 . 1 1 40 40 THR H H 40 8.679 8.679 8.355 0.324 25819 6999 1 17 . 1 1 41 41 ASP N N 41 114.082 114.082 118.678 -4.596 25819 7000 1 17 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.827 -1.129 25819 7001 1 17 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.219 -0.741 25819 7002 1 17 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.780 -2.062 25819 7003 1 17 . 1 1 41 41 ASP H H 41 8.539 8.539 8.476 0.063 25819 7004 1 17 . 1 1 42 42 GLN N N 42 117.086 117.086 116.263 0.823 25819 7005 1 17 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.021 0.130 25819 7006 1 17 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.197 -0.661 25819 7007 1 17 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.571 2.645 25819 7008 1 17 . 1 1 42 42 GLN H H 42 7.718 7.718 7.289 0.429 25819 7009 1 17 . 1 1 43 43 VAL N N 43 109.916 109.916 124.509 -14.593 25819 7010 1 17 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.184 -0.095 25819 7011 1 17 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.465 -3.626 25819 7012 1 17 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.346 -1.073 25819 7013 1 17 . 1 1 43 43 VAL H H 43 6.902 6.902 8.416 -1.514 25819 7014 1 17 . 1 1 44 44 THR N N 44 116.273 116.273 126.965 -10.692 25819 7015 1 17 . 1 1 44 44 THR HA H 44 4.315 4.315 4.661 -0.346 25819 7016 1 17 . 1 1 44 44 THR CA C 44 61.651 61.651 62.135 -0.484 25819 7017 1 17 . 1 1 44 44 THR CB C 44 68.890 68.890 69.107 -0.217 25819 7018 1 17 . 1 1 44 44 THR H H 44 8.787 8.787 8.731 0.056 25819 7019 1 17 . 1 1 45 45 TRP N N 45 132.098 132.098 126.992 5.106 25819 7020 1 17 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.422 -0.177 25819 7021 1 17 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.204 1.183 25819 7022 1 17 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.705 -0.628 25819 7023 1 17 . 1 1 45 45 TRP H H 45 10.351 10.351 8.250 2.101 25819 7024 1 17 . 1 1 46 46 ASP N N 46 121.897 121.897 122.370 -0.473 25819 7025 1 17 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.768 0.089 25819 7026 1 17 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.117 -0.320 25819 7027 1 17 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.406 -0.331 25819 7028 1 17 . 1 1 46 46 ASP H H 46 9.471 9.471 8.140 1.331 25819 7029 1 17 . 1 1 47 47 SER N N 47 113.803 113.803 115.969 -2.166 25819 7030 1 17 . 1 1 47 47 SER HA H 47 5.043 5.043 5.106 -0.063 25819 7031 1 17 . 1 1 47 47 SER CA C 47 53.059 53.059 56.870 -3.811 25819 7032 1 17 . 1 1 47 47 SER CB C 47 64.880 64.880 64.576 0.304 25819 7033 1 17 . 1 1 47 47 SER H H 47 8.502 8.502 8.355 0.147 25819 7034 1 17 . 1 1 48 48 SER N N 48 119.614 119.614 119.758 -0.144 25819 7035 1 17 . 1 1 48 48 SER HA H 48 4.264 4.264 4.313 -0.049 25819 7036 1 17 . 1 1 48 48 SER CA C 48 59.404 59.404 59.796 -0.392 25819 7037 1 17 . 1 1 48 48 SER CB C 48 62.026 62.026 63.420 -1.394 25819 7038 1 17 . 1 1 48 48 SER H H 48 8.517 8.517 8.611 -0.094 25819 7039 1 17 . 1 1 49 49 ASN N N 49 118.259 118.259 116.899 1.360 25819 7040 1 17 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.500 0.398 25819 7041 1 17 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.432 -1.591 25819 7042 1 17 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.631 -0.911 25819 7043 1 17 . 1 1 49 49 ASN H H 49 7.816 7.816 8.168 -0.352 25819 7044 1 17 . 1 1 50 50 THR N N 50 119.289 119.289 114.029 5.260 25819 7045 1 17 . 1 1 50 50 THR HA H 50 4.541 4.541 4.568 -0.027 25819 7046 1 17 . 1 1 50 50 THR CA C 50 62.137 62.137 63.080 -0.943 25819 7047 1 17 . 1 1 50 50 THR CB C 50 67.100 67.100 69.353 -2.253 25819 7048 1 17 . 1 1 50 50 THR H H 50 9.049 9.049 8.356 0.693 25819 7049 1 17 . 1 1 51 51 ASP N N 51 118.825 118.825 119.281 -0.456 25819 7050 1 17 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.784 -0.198 25819 7051 1 17 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.900 -0.210 25819 7052 1 17 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.260 -2.602 25819 7053 1 17 . 1 1 51 51 ASP H H 51 8.251 8.251 8.299 -0.048 25819 7054 1 17 . 1 1 52 52 ILE N N 52 118.411 118.411 118.708 -0.297 25819 7055 1 17 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.252 -0.327 25819 7056 1 17 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.433 0.248 25819 7057 1 17 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.458 -0.562 25819 7058 1 17 . 1 1 52 52 ILE H H 52 7.169 7.169 7.585 -0.416 25819 7059 1 17 . 1 1 53 53 LEU N N 53 120.128 120.128 124.037 -3.909 25819 7060 1 17 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.044 -0.023 25819 7061 1 17 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.663 -0.382 25819 7062 1 17 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.439 0.966 25819 7063 1 17 . 1 1 53 53 LEU H H 53 7.876 7.876 8.091 -0.215 25819 7064 1 17 . 1 1 54 54 SER N N 54 122.251 122.251 116.234 6.017 25819 7065 1 17 . 1 1 54 54 SER HA H 54 4.959 4.959 4.847 0.112 25819 7066 1 17 . 1 1 54 54 SER CA C 54 54.724 54.724 57.011 -2.287 25819 7067 1 17 . 1 1 54 54 SER CB C 54 64.417 64.417 65.995 -1.578 25819 7068 1 17 . 1 1 54 54 SER H H 54 8.650 8.650 8.652 -0.002 25819 7069 1 17 . 1 1 55 55 ILE N N 55 123.973 123.973 121.749 2.224 25819 7070 1 17 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.343 0.558 25819 7071 1 17 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.875 -1.007 25819 7072 1 17 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.672 1.746 25819 7073 1 17 . 1 1 55 55 ILE H H 55 9.082 9.082 8.263 0.819 25819 7074 1 17 . 1 1 56 56 SER N N 56 119.539 119.539 122.880 -3.341 25819 7075 1 17 . 1 1 56 56 SER HA H 56 4.387 4.387 4.692 -0.305 25819 7076 1 17 . 1 1 56 56 SER CA C 56 56.626 56.626 57.528 -0.902 25819 7077 1 17 . 1 1 56 56 SER CB C 56 63.106 63.106 64.602 -1.496 25819 7078 1 17 . 1 1 56 56 SER H H 56 7.905 7.905 8.736 -0.831 25819 7079 1 17 . 1 1 57 57 ASN N N 57 124.209 124.209 124.696 -0.487 25819 7080 1 17 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.922 0.097 25819 7081 1 17 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.693 -0.224 25819 7082 1 17 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.576 1.514 25819 7083 1 17 . 1 1 57 57 ASN H H 57 8.945 8.945 8.852 0.093 25819 7084 1 17 . 1 1 58 58 ALA N N 58 124.300 124.300 121.302 2.998 25819 7085 1 17 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.375 -0.242 25819 7086 1 17 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.210 -0.923 25819 7087 1 17 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.803 -1.449 25819 7088 1 17 . 1 1 58 58 ALA H H 58 8.150 8.150 7.852 0.298 25819 7089 1 17 . 1 1 59 59 SER N N 59 113.299 113.299 114.855 -1.556 25819 7090 1 17 . 1 1 59 59 SER HA H 59 4.698 4.698 4.298 0.400 25819 7091 1 17 . 1 1 59 59 SER CA C 59 60.003 60.003 60.593 -0.591 25819 7092 1 17 . 1 1 59 59 SER CB C 59 62.574 62.574 63.531 -0.957 25819 7093 1 17 . 1 1 59 59 SER H H 59 8.377 8.377 8.671 -0.294 25819 7094 1 17 . 1 1 60 60 ASP N N 60 116.275 116.275 116.139 0.136 25819 7095 1 17 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.692 -0.030 25819 7096 1 17 . 1 1 60 60 ASP CA C 60 52.759 52.759 55.146 -2.387 25819 7097 1 17 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.212 -1.500 25819 7098 1 17 . 1 1 60 60 ASP H H 60 8.311 8.311 8.279 0.032 25819 7099 1 17 . 1 1 61 61 SER N N 61 112.649 112.649 111.612 1.037 25819 7100 1 17 . 1 1 61 61 SER HA H 61 4.630 4.630 4.379 0.251 25819 7101 1 17 . 1 1 61 61 SER CA C 61 56.180 56.180 58.664 -2.484 25819 7102 1 17 . 1 1 61 61 SER CB C 61 61.843 61.843 63.789 -1.946 25819 7103 1 17 . 1 1 61 61 SER H H 61 7.588 7.588 7.513 0.075 25819 7104 1 17 . 1 1 62 62 HIS N N 62 119.790 119.790 122.338 -2.548 25819 7105 1 17 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.814 -0.767 25819 7106 1 17 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.332 1.587 25819 7107 1 17 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.979 -2.455 25819 7108 1 17 . 1 1 62 62 HIS H H 62 8.030 8.030 7.675 0.355 25819 7109 1 17 . 1 1 63 63 GLY N N 63 113.301 113.301 108.003 5.298 25819 7110 1 17 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.978 -1.325 25819 7111 1 17 . 1 1 63 63 GLY H H 63 8.733 8.733 8.324 0.409 25819 7112 1 17 . 1 1 64 64 LEU N N 64 120.664 120.664 123.298 -2.634 25819 7113 1 17 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.805 -1.419 25819 7114 1 17 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.653 0.240 25819 7115 1 17 . 1 1 64 64 LEU CB C 64 41.463 41.463 46.781 -5.318 25819 7116 1 17 . 1 1 64 64 LEU H H 64 7.679 7.679 8.512 -0.833 25819 7117 1 17 . 1 1 65 65 ALA N N 65 108.347 108.347 122.331 -13.984 25819 7118 1 17 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.789 0.613 25819 7119 1 17 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.694 -1.427 25819 7120 1 17 . 1 1 65 65 ALA CB C 65 21.555 21.555 22.616 -1.061 25819 7121 1 17 . 1 1 65 65 ALA H H 65 9.874 9.874 9.103 0.771 25819 7122 1 17 . 1 1 66 66 SER N N 66 115.951 115.951 116.166 -0.215 25819 7123 1 17 . 1 1 66 66 SER HA H 66 4.909 4.909 5.166 -0.257 25819 7124 1 17 . 1 1 66 66 SER CA C 66 56.645 56.645 57.254 -0.609 25819 7125 1 17 . 1 1 66 66 SER CB C 66 63.823 63.823 65.338 -1.515 25819 7126 1 17 . 1 1 66 66 SER H H 66 8.938 8.938 8.820 0.118 25819 7127 1 17 . 1 1 67 67 THR N N 67 113.595 113.595 120.063 -6.468 25819 7128 1 17 . 1 1 67 67 THR HA H 67 4.649 4.649 4.759 -0.110 25819 7129 1 17 . 1 1 67 67 THR CA C 67 59.216 59.216 60.798 -1.582 25819 7130 1 17 . 1 1 67 67 THR CB C 67 69.006 69.006 70.579 -1.573 25819 7131 1 17 . 1 1 67 67 THR H H 67 8.258 8.258 8.728 -0.470 25819 7132 1 17 . 1 1 68 68 LEU N N 68 124.152 124.152 124.822 -0.670 25819 7133 1 17 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.661 -0.305 25819 7134 1 17 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.346 0.765 25819 7135 1 17 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.039 0.876 25819 7136 1 17 . 1 1 68 68 LEU H H 68 8.616 8.616 8.233 0.383 25819 7137 1 17 . 1 1 69 69 ASN N N 69 115.821 115.821 117.933 -2.112 25819 7138 1 17 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.904 -0.260 25819 7139 1 17 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.901 -0.445 25819 7140 1 17 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.355 1.951 25819 7141 1 17 . 1 1 69 69 ASN H H 69 7.965 7.965 7.724 0.241 25819 7142 1 17 . 1 1 70 70 GLN N N 70 114.564 114.564 117.378 -2.814 25819 7143 1 17 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.747 -0.822 25819 7144 1 17 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.213 0.024 25819 7145 1 17 . 1 1 70 70 GLN CB C 70 29.006 29.006 29.590 -0.584 25819 7146 1 17 . 1 1 70 70 GLN H H 70 8.287 8.287 8.707 -0.420 25819 7147 1 17 . 1 1 71 71 GLY N N 71 108.006 108.006 108.407 -0.401 25819 7148 1 17 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.865 -1.179 25819 7149 1 17 . 1 1 71 71 GLY H H 71 8.520 8.520 8.002 0.518 25819 7150 1 17 . 1 1 72 72 ASN N N 72 117.784 117.784 117.979 -0.195 25819 7151 1 17 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.784 0.689 25819 7152 1 17 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.395 -0.704 25819 7153 1 17 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.804 -0.908 25819 7154 1 17 . 1 1 72 72 ASN H H 72 8.420 8.420 8.386 0.034 25819 7155 1 17 . 1 1 73 73 VAL N N 73 115.849 115.849 118.819 -2.970 25819 7156 1 17 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.336 0.195 25819 7157 1 17 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.334 -0.359 25819 7158 1 17 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.803 -0.624 25819 7159 1 17 . 1 1 73 73 VAL H H 73 8.990 8.990 8.769 0.221 25819 7160 1 17 . 1 1 74 74 LYS N N 74 123.196 123.196 123.113 0.083 25819 7161 1 17 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.628 0.528 25819 7162 1 17 . 1 1 74 74 LYS CA C 74 53.881 53.881 55.086 -1.205 25819 7163 1 17 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.016 -0.419 25819 7164 1 17 . 1 1 74 74 LYS H H 74 8.716 8.716 8.633 0.083 25819 7165 1 17 . 1 1 75 75 VAL N N 75 129.522 129.522 128.566 0.956 25819 7166 1 17 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.726 -0.184 25819 7167 1 17 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.655 -0.839 25819 7168 1 17 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.486 -1.003 25819 7169 1 17 . 1 1 75 75 VAL H H 75 8.975 8.975 8.495 0.480 25819 7170 1 17 . 1 1 76 76 THR N N 76 120.548 120.548 122.488 -1.940 25819 7171 1 17 . 1 1 76 76 THR HA H 76 5.066 5.066 4.849 0.217 25819 7172 1 17 . 1 1 76 76 THR CA C 76 59.783 59.783 60.431 -0.648 25819 7173 1 17 . 1 1 76 76 THR CB C 76 70.733 70.733 70.873 -0.140 25819 7174 1 17 . 1 1 76 76 THR H H 76 8.650 8.650 8.237 0.413 25819 7175 1 17 . 1 1 77 77 ALA N N 77 126.454 126.454 126.906 -0.452 25819 7176 1 17 . 1 1 77 77 ALA HA H 77 4.380 4.380 4.990 -0.610 25819 7177 1 17 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.611 -2.180 25819 7178 1 17 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.009 -1.465 25819 7179 1 17 . 1 1 77 77 ALA H H 77 8.674 8.674 8.669 0.005 25819 7180 1 17 . 1 1 78 78 SER N N 78 113.568 113.568 116.994 -3.426 25819 7181 1 17 . 1 1 78 78 SER HA H 78 5.376 5.376 4.823 0.553 25819 7182 1 17 . 1 1 78 78 SER CA C 78 56.077 56.077 58.525 -2.448 25819 7183 1 17 . 1 1 78 78 SER CB C 78 65.730 65.730 66.847 -1.116 25819 7184 1 17 . 1 1 78 78 SER H H 78 8.117 8.117 8.309 -0.192 25819 7185 1 17 . 1 1 79 79 ILE N N 79 121.071 121.071 124.098 -3.027 25819 7186 1 17 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.468 -0.327 25819 7187 1 17 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.196 0.928 25819 7188 1 17 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.080 -1.271 25819 7189 1 17 . 1 1 79 79 ILE H H 79 8.446 8.446 7.772 0.674 25819 7190 1 17 . 1 1 80 80 GLY N N 80 117.157 117.157 116.791 0.366 25819 7191 1 17 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.436 -0.430 25819 7192 1 17 . 1 1 80 80 GLY H H 80 8.899 8.899 8.748 0.151 25819 7193 1 17 . 1 1 81 81 GLY N N 81 110.715 110.715 111.603 -0.888 25819 7194 1 17 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.042 -0.664 25819 7195 1 17 . 1 1 81 81 GLY H H 81 8.742 8.742 7.940 0.802 25819 7196 1 17 . 1 1 82 82 ILE N N 82 124.113 124.113 122.693 1.420 25819 7197 1 17 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.011 0.189 25819 7198 1 17 . 1 1 82 82 ILE CA C 82 59.033 59.033 61.481 -2.448 25819 7199 1 17 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.096 -1.319 25819 7200 1 17 . 1 1 82 82 ILE H H 82 8.188 8.188 8.215 -0.027 25819 7201 1 17 . 1 1 83 83 GLN N N 83 122.455 122.455 122.945 -0.490 25819 7202 1 17 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.538 0.857 25819 7203 1 17 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.362 -1.342 25819 7204 1 17 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.956 -0.442 25819 7205 1 17 . 1 1 83 83 GLN H H 83 8.423 8.423 8.195 0.228 25819 7206 1 17 . 1 1 84 84 GLY N N 84 111.437 111.437 107.286 4.151 25819 7207 1 17 . 1 1 84 84 GLY H H 84 8.931 8.931 8.690 0.241 25819 7208 1 17 . 1 1 85 85 SER N N 85 113.878 113.878 115.329 -1.451 25819 7209 1 17 . 1 1 85 85 SER HA H 85 5.841 5.841 5.256 0.585 25819 7210 1 17 . 1 1 85 85 SER CA C 85 56.264 56.264 56.953 -0.689 25819 7211 1 17 . 1 1 85 85 SER CB C 85 66.946 66.946 66.480 0.466 25819 7212 1 17 . 1 1 85 85 SER H H 85 8.710 8.710 8.454 0.256 25819 7213 1 17 . 1 1 86 86 THR N N 86 115.389 115.389 115.476 -0.087 25819 7214 1 17 . 1 1 86 86 THR HA H 86 4.772 4.772 4.682 0.090 25819 7215 1 17 . 1 1 86 86 THR CA C 86 60.313 60.313 61.571 -1.258 25819 7216 1 17 . 1 1 86 86 THR CB C 86 69.852 69.852 71.576 -1.724 25819 7217 1 17 . 1 1 86 86 THR H H 86 8.854 8.854 8.918 -0.064 25819 7218 1 17 . 1 1 87 87 ASP N N 87 124.623 124.623 122.647 1.976 25819 7219 1 17 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.863 0.573 25819 7220 1 17 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.549 0.247 25819 7221 1 17 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.644 -0.634 25819 7222 1 17 . 1 1 87 87 ASP H H 87 7.953 7.953 8.600 -0.647 25819 7223 1 17 . 1 1 88 88 PHE N N 88 123.574 123.574 127.200 -3.626 25819 7224 1 17 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.515 -0.584 25819 7225 1 17 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.698 1.270 25819 7226 1 17 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.081 -0.197 25819 7227 1 17 . 1 1 88 88 PHE H H 88 9.094 9.094 8.348 0.746 25819 7228 1 17 . 1 1 89 89 LYS N N 89 126.965 126.965 129.742 -2.777 25819 7229 1 17 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.378 0.660 25819 7230 1 17 . 1 1 89 89 LYS CA C 89 53.889 53.889 54.858 -0.969 25819 7231 1 17 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.978 -1.309 25819 7232 1 17 . 1 1 89 89 LYS H H 89 7.269 7.269 8.195 -0.926 25819 7233 1 17 . 1 1 90 90 VAL N N 90 126.148 126.148 128.652 -2.504 25819 7234 1 17 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.241 -0.230 25819 7235 1 17 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.070 0.477 25819 7236 1 17 . 1 1 90 90 VAL CB C 90 30.948 30.948 34.403 -3.454 25819 7237 1 17 . 1 1 90 90 VAL H H 90 9.086 9.086 8.149 0.937 25819 7238 1 17 . 1 1 91 91 THR N N 91 120.505 120.505 123.488 -2.983 25819 7239 1 17 . 1 1 91 91 THR HA H 91 4.568 4.568 4.700 -0.132 25819 7240 1 17 . 1 1 91 91 THR CA C 91 59.348 59.348 61.267 -1.919 25819 7241 1 17 . 1 1 91 91 THR CB C 91 68.970 68.970 70.432 -1.462 25819 7242 1 17 . 1 1 91 91 THR H H 91 8.757 8.757 8.301 0.456 25819 7243 1 18 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.626 -0.349 25819 7244 1 18 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.730 -1.509 25819 7245 1 18 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.962 -1.546 25819 7246 1 18 . 1 1 3 3 ALA N N 3 123.804 123.804 124.205 -0.401 25819 7247 1 18 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.525 -0.319 25819 7248 1 18 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.509 -0.114 25819 7249 1 18 . 1 1 3 3 ALA CB C 3 18.840 18.840 19.503 -0.663 25819 7250 1 18 . 1 1 3 3 ALA H H 3 8.647 8.647 8.342 0.305 25819 7251 1 18 . 1 1 4 4 ALA N N 4 124.058 124.058 127.415 -3.357 25819 7252 1 18 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.828 -0.119 25819 7253 1 18 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.513 -0.491 25819 7254 1 18 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.897 -2.000 25819 7255 1 18 . 1 1 4 4 ALA H H 4 8.239 8.239 8.835 -0.596 25819 7256 1 18 . 1 1 5 5 LEU N N 5 124.018 124.018 122.256 1.762 25819 7257 1 18 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.751 -0.379 25819 7258 1 18 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.843 -1.835 25819 7259 1 18 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.803 -0.561 25819 7260 1 18 . 1 1 5 5 LEU H H 5 8.560 8.560 8.517 0.043 25819 7261 1 18 . 1 1 6 6 VAL N N 6 123.357 123.357 121.420 1.937 25819 7262 1 18 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.133 -0.036 25819 7263 1 18 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.752 -0.412 25819 7264 1 18 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.884 -0.936 25819 7265 1 18 . 1 1 6 6 VAL H H 6 9.119 9.119 8.382 0.737 25819 7266 1 18 . 1 1 7 7 SER N N 7 112.137 112.137 113.824 -1.687 25819 7267 1 18 . 1 1 7 7 SER HA H 7 4.445 4.445 4.790 -0.345 25819 7268 1 18 . 1 1 7 7 SER CA C 7 56.349 56.349 58.015 -1.666 25819 7269 1 18 . 1 1 7 7 SER CB C 7 64.361 64.361 66.789 -2.428 25819 7270 1 18 . 1 1 7 7 SER H H 7 7.680 7.680 7.816 -0.136 25819 7271 1 18 . 1 1 8 8 ILE N N 8 118.674 118.674 117.322 1.352 25819 7272 1 18 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.167 -0.494 25819 7273 1 18 . 1 1 8 8 ILE CA C 8 59.146 59.146 58.893 0.253 25819 7274 1 18 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.417 -0.743 25819 7275 1 18 . 1 1 8 8 ILE H H 8 8.354 8.354 8.227 0.127 25819 7276 1 18 . 1 1 9 9 SER N N 9 121.319 121.319 118.936 2.383 25819 7277 1 18 . 1 1 9 9 SER HA H 9 4.863 4.863 4.861 0.002 25819 7278 1 18 . 1 1 9 9 SER CA C 9 55.381 55.381 57.097 -1.716 25819 7279 1 18 . 1 1 9 9 SER CB C 9 64.243 64.243 63.134 1.109 25819 7280 1 18 . 1 1 9 9 SER H H 9 9.028 9.028 8.646 0.382 25819 7281 1 18 . 1 1 10 10 VAL N N 10 127.509 127.509 122.343 5.166 25819 7282 1 18 . 1 1 10 10 VAL HA H 10 5.050 5.050 5.045 0.005 25819 7283 1 18 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.210 0.702 25819 7284 1 18 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.943 -1.556 25819 7285 1 18 . 1 1 10 10 VAL H H 10 8.911 8.911 8.400 0.511 25819 7286 1 18 . 1 1 11 11 SER N N 11 121.860 121.860 121.302 0.558 25819 7287 1 18 . 1 1 11 11 SER CB C 11 64.373 64.373 62.611 1.762 25819 7288 1 18 . 1 1 11 11 SER H H 11 9.206 9.206 8.762 0.444 25819 7289 1 18 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.768 -0.064 25819 7290 1 18 . 1 1 12 12 PRO CA C 12 60.899 60.899 63.124 -2.225 25819 7291 1 18 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.150 1.939 25819 7292 1 18 . 1 1 13 13 THR N N 13 116.137 116.137 119.043 -2.906 25819 7293 1 18 . 1 1 13 13 THR HA H 13 4.770 4.770 4.451 0.319 25819 7294 1 18 . 1 1 13 13 THR CA C 13 60.153 60.153 61.695 -1.542 25819 7295 1 18 . 1 1 13 13 THR CB C 13 69.426 69.426 70.593 -1.167 25819 7296 1 18 . 1 1 13 13 THR H H 13 8.679 8.679 8.342 0.337 25819 7297 1 18 . 1 1 14 14 ASN N N 14 124.457 124.457 126.931 -2.474 25819 7298 1 18 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.313 -0.618 25819 7299 1 18 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.535 0.593 25819 7300 1 18 . 1 1 14 14 ASN CB C 14 36.593 36.593 37.758 -1.165 25819 7301 1 18 . 1 1 14 14 ASN H H 14 8.710 8.710 8.890 -0.180 25819 7302 1 18 . 1 1 15 15 SER N N 15 113.673 113.673 117.048 -3.375 25819 7303 1 18 . 1 1 15 15 SER HA H 15 4.648 4.648 4.852 -0.204 25819 7304 1 18 . 1 1 15 15 SER CA C 15 55.644 55.644 57.657 -2.013 25819 7305 1 18 . 1 1 15 15 SER CB C 15 63.953 63.953 65.537 -1.584 25819 7306 1 18 . 1 1 15 15 SER H H 15 9.127 9.127 7.911 1.216 25819 7307 1 18 . 1 1 16 16 THR N N 16 113.579 113.579 115.328 -1.749 25819 7308 1 18 . 1 1 16 16 THR HA H 16 4.976 4.976 4.870 0.106 25819 7309 1 18 . 1 1 16 16 THR CA C 16 58.445 58.445 60.477 -2.032 25819 7310 1 18 . 1 1 16 16 THR CB C 16 70.534 70.534 70.276 0.258 25819 7311 1 18 . 1 1 16 16 THR H H 16 7.962 7.962 8.288 -0.326 25819 7312 1 18 . 1 1 17 17 VAL N N 17 121.479 121.479 119.070 2.409 25819 7313 1 18 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.642 -0.322 25819 7314 1 18 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.321 0.616 25819 7315 1 18 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.539 -0.136 25819 7316 1 18 . 1 1 17 17 VAL H H 17 7.969 7.969 9.018 -1.049 25819 7317 1 18 . 1 1 18 18 ALA N N 18 126.014 126.014 124.187 1.827 25819 7318 1 18 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.398 -0.223 25819 7319 1 18 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.368 -0.405 25819 7320 1 18 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.910 -0.988 25819 7321 1 18 . 1 1 18 18 ALA H H 18 7.756 7.756 8.231 -0.475 25819 7322 1 18 . 1 1 19 19 LYS N N 19 119.741 119.741 121.274 -1.533 25819 7323 1 18 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.957 -0.470 25819 7324 1 18 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.233 0.539 25819 7325 1 18 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.693 -1.091 25819 7326 1 18 . 1 1 19 19 LYS H H 19 7.892 7.892 8.101 -0.209 25819 7327 1 18 . 1 1 20 20 GLY N N 20 116.709 116.709 113.183 3.526 25819 7328 1 18 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.912 -2.149 25819 7329 1 18 . 1 1 20 20 GLY H H 20 8.615 8.615 8.717 -0.102 25819 7330 1 18 . 1 1 21 21 LEU N N 21 123.004 123.004 121.432 1.572 25819 7331 1 18 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.662 -0.074 25819 7332 1 18 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.170 0.195 25819 7333 1 18 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.592 -4.630 25819 7334 1 18 . 1 1 21 21 LEU H H 21 8.013 8.013 7.631 0.382 25819 7335 1 18 . 1 1 22 22 GLN N N 22 117.503 117.503 118.262 -0.759 25819 7336 1 18 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.120 0.008 25819 7337 1 18 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.127 -0.459 25819 7338 1 18 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.273 -1.359 25819 7339 1 18 . 1 1 22 22 GLN H H 22 8.223 8.223 8.158 0.065 25819 7340 1 18 . 1 1 23 23 GLU N N 23 118.126 118.126 119.471 -1.345 25819 7341 1 18 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.610 -0.047 25819 7342 1 18 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.360 -2.493 25819 7343 1 18 . 1 1 23 23 GLU CB C 23 32.874 32.874 34.230 -1.356 25819 7344 1 18 . 1 1 23 23 GLU H H 23 8.188 8.188 8.561 -0.373 25819 7345 1 18 . 1 1 24 24 ASN N N 24 125.841 125.841 121.111 4.730 25819 7346 1 18 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.055 -0.277 25819 7347 1 18 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.499 -0.988 25819 7348 1 18 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.880 -0.134 25819 7349 1 18 . 1 1 24 24 ASN H H 24 9.390 9.390 8.515 0.875 25819 7350 1 18 . 1 1 25 25 PHE N N 25 122.824 122.824 122.187 0.637 25819 7351 1 18 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.740 -0.089 25819 7352 1 18 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.164 -0.041 25819 7353 1 18 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.026 -3.967 25819 7354 1 18 . 1 1 25 25 PHE H H 25 8.061 8.061 9.122 -1.061 25819 7355 1 18 . 1 1 26 26 LYS N N 26 119.114 119.114 121.396 -2.282 25819 7356 1 18 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.705 0.539 25819 7357 1 18 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.813 -2.837 25819 7358 1 18 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.964 -1.303 25819 7359 1 18 . 1 1 26 26 LYS H H 26 9.255 9.255 8.749 0.506 25819 7360 1 18 . 1 1 27 27 ALA N N 27 125.583 125.583 128.668 -3.085 25819 7361 1 18 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.517 -0.255 25819 7362 1 18 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.968 -2.151 25819 7363 1 18 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.227 -1.067 25819 7364 1 18 . 1 1 27 27 ALA H H 27 9.120 9.120 8.524 0.596 25819 7365 1 18 . 1 1 28 28 THR HA H 28 4.837 4.837 4.715 0.122 25819 7366 1 18 . 1 1 28 28 THR CA C 28 60.566 60.566 60.566 0.001 25819 7367 1 18 . 1 1 28 28 THR CB C 28 69.478 69.478 70.630 -1.152 25819 7368 1 18 . 1 1 28 28 THR H H 28 9.062 9.062 8.209 0.853 25819 7369 1 18 . 1 1 29 29 GLY N N 29 115.789 115.789 113.635 2.154 25819 7370 1 18 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.039 0.277 25819 7371 1 18 . 1 1 29 29 GLY H H 29 9.662 9.662 8.923 0.739 25819 7372 1 18 . 1 1 30 30 ILE N N 30 123.084 123.084 122.296 0.788 25819 7373 1 18 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.697 0.081 25819 7374 1 18 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.439 0.949 25819 7375 1 18 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.768 -3.885 25819 7376 1 18 . 1 1 30 30 ILE H H 30 7.914 7.914 8.696 -0.782 25819 7377 1 18 . 1 1 31 31 PHE N N 31 125.209 125.209 121.691 3.518 25819 7378 1 18 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.102 0.268 25819 7379 1 18 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.422 0.065 25819 7380 1 18 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.816 -1.663 25819 7381 1 18 . 1 1 31 31 PHE H H 31 8.316 8.316 8.347 -0.031 25819 7382 1 18 . 1 1 32 32 THR N N 32 113.842 113.842 116.514 -2.672 25819 7383 1 18 . 1 1 32 32 THR HA H 32 4.404 4.404 4.163 0.241 25819 7384 1 18 . 1 1 32 32 THR CA C 32 64.157 64.157 65.588 -1.431 25819 7385 1 18 . 1 1 32 32 THR CB C 32 68.540 68.540 68.579 -0.039 25819 7386 1 18 . 1 1 32 32 THR H H 32 9.335 9.335 8.676 0.659 25819 7387 1 18 . 1 1 33 33 ASP N N 33 118.799 118.799 120.807 -2.008 25819 7388 1 18 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.677 -0.056 25819 7389 1 18 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.236 -1.273 25819 7390 1 18 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.413 -1.919 25819 7391 1 18 . 1 1 33 33 ASP H H 33 7.689 7.689 8.190 -0.501 25819 7392 1 18 . 1 1 34 34 ASN N N 34 112.993 112.993 115.126 -2.133 25819 7393 1 18 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.393 -0.045 25819 7394 1 18 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.243 0.103 25819 7395 1 18 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.907 -0.417 25819 7396 1 18 . 1 1 34 34 ASN H H 34 8.370 8.370 7.947 0.423 25819 7397 1 18 . 1 1 35 35 SER N N 35 115.543 115.543 114.646 0.897 25819 7398 1 18 . 1 1 35 35 SER HA H 35 4.413 4.413 4.458 -0.045 25819 7399 1 18 . 1 1 35 35 SER CA C 35 57.882 57.882 58.016 -0.133 25819 7400 1 18 . 1 1 35 35 SER CB C 35 63.770 63.770 63.892 -0.122 25819 7401 1 18 . 1 1 35 35 SER H H 35 7.990 7.990 8.003 -0.013 25819 7402 1 18 . 1 1 36 36 ASN N N 36 116.051 116.051 124.035 -7.984 25819 7403 1 18 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.651 -1.977 25819 7404 1 18 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.564 1.235 25819 7405 1 18 . 1 1 36 36 ASN H H 36 8.518 8.518 8.683 -0.165 25819 7406 1 18 . 1 1 37 37 SER N N 37 113.191 113.191 120.218 -7.027 25819 7407 1 18 . 1 1 37 37 SER HA H 37 4.715 4.715 4.773 -0.058 25819 7408 1 18 . 1 1 37 37 SER CA C 37 56.801 56.801 57.260 -0.459 25819 7409 1 18 . 1 1 37 37 SER CB C 37 64.872 64.872 66.523 -1.651 25819 7410 1 18 . 1 1 37 37 SER H H 37 8.667 8.667 9.276 -0.609 25819 7411 1 18 . 1 1 38 38 ASP N N 38 123.961 123.961 124.227 -0.266 25819 7412 1 18 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.772 0.215 25819 7413 1 18 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.045 1.156 25819 7414 1 18 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.098 -1.169 25819 7415 1 18 . 1 1 38 38 ASP H H 38 8.848 8.848 8.614 0.234 25819 7416 1 18 . 1 1 39 39 ILE N N 39 121.217 121.217 116.982 4.235 25819 7417 1 18 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.774 1.097 25819 7418 1 18 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.820 -2.113 25819 7419 1 18 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.099 1.987 25819 7420 1 18 . 1 1 39 39 ILE H H 39 8.815 8.815 8.614 0.201 25819 7421 1 18 . 1 1 40 40 THR N N 40 122.868 122.868 114.770 8.098 25819 7422 1 18 . 1 1 40 40 THR HA H 40 4.288 4.288 4.095 0.193 25819 7423 1 18 . 1 1 40 40 THR CB C 40 68.527 68.527 69.017 -0.490 25819 7424 1 18 . 1 1 40 40 THR H H 40 8.679 8.679 8.315 0.364 25819 7425 1 18 . 1 1 41 41 ASP N N 41 114.082 114.082 119.154 -5.072 25819 7426 1 18 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.882 -1.184 25819 7427 1 18 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.844 -0.366 25819 7428 1 18 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.542 -1.824 25819 7429 1 18 . 1 1 41 41 ASP H H 41 8.539 8.539 8.466 0.073 25819 7430 1 18 . 1 1 42 42 GLN N N 42 117.086 117.086 117.435 -0.349 25819 7431 1 18 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.078 0.073 25819 7432 1 18 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.144 -0.608 25819 7433 1 18 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.340 2.876 25819 7434 1 18 . 1 1 42 42 GLN H H 42 7.718 7.718 7.451 0.267 25819 7435 1 18 . 1 1 43 43 VAL N N 43 109.916 109.916 123.283 -13.367 25819 7436 1 18 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.217 -0.128 25819 7437 1 18 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.862 -4.022 25819 7438 1 18 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.796 -1.523 25819 7439 1 18 . 1 1 43 43 VAL H H 43 6.902 6.902 8.306 -1.404 25819 7440 1 18 . 1 1 44 44 THR N N 44 116.273 116.273 124.069 -7.796 25819 7441 1 18 . 1 1 44 44 THR HA H 44 4.315 4.315 4.505 -0.190 25819 7442 1 18 . 1 1 44 44 THR CA C 44 61.651 61.651 61.805 -0.154 25819 7443 1 18 . 1 1 44 44 THR CB C 44 68.890 68.890 69.362 -0.472 25819 7444 1 18 . 1 1 44 44 THR H H 44 8.787 8.787 8.725 0.062 25819 7445 1 18 . 1 1 45 45 TRP N N 45 132.098 132.098 124.995 7.103 25819 7446 1 18 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.034 0.211 25819 7447 1 18 . 1 1 45 45 TRP CA C 45 55.387 55.387 55.371 0.016 25819 7448 1 18 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.142 -0.065 25819 7449 1 18 . 1 1 45 45 TRP H H 45 10.351 10.351 8.151 2.200 25819 7450 1 18 . 1 1 46 46 ASP N N 46 121.897 121.897 123.621 -1.724 25819 7451 1 18 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.980 -0.123 25819 7452 1 18 . 1 1 46 46 ASP CA C 46 52.797 52.797 54.287 -1.490 25819 7453 1 18 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.630 0.445 25819 7454 1 18 . 1 1 46 46 ASP H H 46 9.471 9.471 7.978 1.493 25819 7455 1 18 . 1 1 47 47 SER N N 47 113.803 113.803 117.743 -3.940 25819 7456 1 18 . 1 1 47 47 SER HA H 47 5.043 5.043 5.388 -0.345 25819 7457 1 18 . 1 1 47 47 SER CA C 47 53.059 53.059 56.785 -3.726 25819 7458 1 18 . 1 1 47 47 SER CB C 47 64.880 64.880 66.776 -1.896 25819 7459 1 18 . 1 1 47 47 SER H H 47 8.502 8.502 8.413 0.089 25819 7460 1 18 . 1 1 48 48 SER N N 48 119.614 119.614 117.585 2.029 25819 7461 1 18 . 1 1 48 48 SER HA H 48 4.264 4.264 4.288 -0.024 25819 7462 1 18 . 1 1 48 48 SER CA C 48 59.404 59.404 60.036 -0.632 25819 7463 1 18 . 1 1 48 48 SER CB C 48 62.026 62.026 63.586 -1.560 25819 7464 1 18 . 1 1 48 48 SER H H 48 8.517 8.517 8.474 0.043 25819 7465 1 18 . 1 1 49 49 ASN N N 49 118.259 118.259 115.538 2.721 25819 7466 1 18 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.496 0.402 25819 7467 1 18 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.271 -1.430 25819 7468 1 18 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.529 -0.809 25819 7469 1 18 . 1 1 49 49 ASN H H 49 7.816 7.816 7.577 0.239 25819 7470 1 18 . 1 1 50 50 THR N N 50 119.289 119.289 113.396 5.893 25819 7471 1 18 . 1 1 50 50 THR HA H 50 4.541 4.541 4.462 0.079 25819 7472 1 18 . 1 1 50 50 THR CA C 50 62.137 62.137 62.526 -0.389 25819 7473 1 18 . 1 1 50 50 THR CB C 50 67.100 67.100 69.753 -2.653 25819 7474 1 18 . 1 1 50 50 THR H H 50 9.049 9.049 8.334 0.715 25819 7475 1 18 . 1 1 51 51 ASP N N 51 118.825 118.825 119.828 -1.003 25819 7476 1 18 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.796 -0.210 25819 7477 1 18 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.750 -0.060 25819 7478 1 18 . 1 1 51 51 ASP CB C 51 39.658 39.658 43.295 -3.637 25819 7479 1 18 . 1 1 51 51 ASP H H 51 8.251 8.251 8.005 0.246 25819 7480 1 18 . 1 1 52 52 ILE N N 52 118.411 118.411 120.025 -1.614 25819 7481 1 18 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.300 -0.375 25819 7482 1 18 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.795 -0.114 25819 7483 1 18 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.874 0.022 25819 7484 1 18 . 1 1 52 52 ILE H H 52 7.169 7.169 7.614 -0.445 25819 7485 1 18 . 1 1 53 53 LEU N N 53 120.128 120.128 123.320 -3.192 25819 7486 1 18 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.174 -0.153 25819 7487 1 18 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.961 -0.680 25819 7488 1 18 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.816 0.589 25819 7489 1 18 . 1 1 53 53 LEU H H 53 7.876 7.876 7.929 -0.053 25819 7490 1 18 . 1 1 54 54 SER N N 54 122.251 122.251 116.289 5.962 25819 7491 1 18 . 1 1 54 54 SER HA H 54 4.959 4.959 4.819 0.140 25819 7492 1 18 . 1 1 54 54 SER CA C 54 54.724 54.724 57.368 -2.644 25819 7493 1 18 . 1 1 54 54 SER CB C 54 64.417 64.417 66.207 -1.790 25819 7494 1 18 . 1 1 54 54 SER H H 54 8.650 8.650 8.561 0.089 25819 7495 1 18 . 1 1 55 55 ILE N N 55 123.973 123.973 123.236 0.737 25819 7496 1 18 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.391 0.510 25819 7497 1 18 . 1 1 55 55 ILE CA C 55 58.868 58.868 58.816 0.053 25819 7498 1 18 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.166 2.252 25819 7499 1 18 . 1 1 55 55 ILE H H 55 9.082 9.082 8.370 0.712 25819 7500 1 18 . 1 1 56 56 SER N N 56 119.539 119.539 121.904 -2.365 25819 7501 1 18 . 1 1 56 56 SER HA H 56 4.387 4.387 3.901 0.486 25819 7502 1 18 . 1 1 56 56 SER CA C 56 56.626 56.626 57.276 -0.650 25819 7503 1 18 . 1 1 56 56 SER CB C 56 63.106 63.106 65.418 -2.312 25819 7504 1 18 . 1 1 56 56 SER H H 56 7.905 7.905 7.924 -0.019 25819 7505 1 18 . 1 1 57 57 ASN N N 57 124.209 124.209 123.700 0.509 25819 7506 1 18 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.863 0.156 25819 7507 1 18 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.039 -0.570 25819 7508 1 18 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.917 0.173 25819 7509 1 18 . 1 1 57 57 ASN H H 57 8.945 8.945 8.629 0.316 25819 7510 1 18 . 1 1 58 58 ALA N N 58 124.300 124.300 119.940 4.360 25819 7511 1 18 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.551 -0.418 25819 7512 1 18 . 1 1 58 58 ALA CA C 58 51.287 51.287 51.984 -0.697 25819 7513 1 18 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.927 -1.573 25819 7514 1 18 . 1 1 58 58 ALA H H 58 8.150 8.150 7.549 0.601 25819 7515 1 18 . 1 1 59 59 SER N N 59 113.299 113.299 114.842 -1.543 25819 7516 1 18 . 1 1 59 59 SER HA H 59 4.698 4.698 4.211 0.487 25819 7517 1 18 . 1 1 59 59 SER CA C 59 60.003 60.003 60.842 -0.839 25819 7518 1 18 . 1 1 59 59 SER CB C 59 62.574 62.574 63.397 -0.823 25819 7519 1 18 . 1 1 59 59 SER H H 59 8.377 8.377 8.550 -0.173 25819 7520 1 18 . 1 1 60 60 ASP N N 60 116.275 116.275 115.088 1.187 25819 7521 1 18 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.751 -0.089 25819 7522 1 18 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.895 -2.136 25819 7523 1 18 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.261 -1.549 25819 7524 1 18 . 1 1 60 60 ASP H H 60 8.311 8.311 8.370 -0.059 25819 7525 1 18 . 1 1 61 61 SER N N 61 112.649 112.649 112.877 -0.228 25819 7526 1 18 . 1 1 61 61 SER HA H 61 4.630 4.630 4.467 0.163 25819 7527 1 18 . 1 1 61 61 SER CA C 61 56.180 56.180 58.526 -2.346 25819 7528 1 18 . 1 1 61 61 SER CB C 61 61.843 61.843 63.752 -1.909 25819 7529 1 18 . 1 1 61 61 SER H H 61 7.588 7.588 7.797 -0.209 25819 7530 1 18 . 1 1 62 62 HIS N N 62 119.790 119.790 122.524 -2.734 25819 7531 1 18 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.635 -0.588 25819 7532 1 18 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.883 1.036 25819 7533 1 18 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.186 -2.662 25819 7534 1 18 . 1 1 62 62 HIS H H 62 8.030 8.030 8.283 -0.253 25819 7535 1 18 . 1 1 63 63 GLY N N 63 113.301 113.301 107.256 6.045 25819 7536 1 18 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.888 -0.235 25819 7537 1 18 . 1 1 63 63 GLY H H 63 8.733 8.733 8.297 0.436 25819 7538 1 18 . 1 1 64 64 LEU N N 64 120.664 120.664 115.691 4.973 25819 7539 1 18 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.482 -1.096 25819 7540 1 18 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.232 1.661 25819 7541 1 18 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.148 -3.684 25819 7542 1 18 . 1 1 64 64 LEU H H 64 7.679 7.679 8.706 -1.027 25819 7543 1 18 . 1 1 65 65 ALA N N 65 108.347 108.347 119.930 -11.583 25819 7544 1 18 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.711 0.691 25819 7545 1 18 . 1 1 65 65 ALA CA C 65 49.267 49.267 51.418 -2.151 25819 7546 1 18 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.876 -0.321 25819 7547 1 18 . 1 1 65 65 ALA H H 65 9.874 9.874 8.518 1.356 25819 7548 1 18 . 1 1 66 66 SER N N 66 115.951 115.951 118.869 -2.918 25819 7549 1 18 . 1 1 66 66 SER HA H 66 4.909 4.909 5.003 -0.094 25819 7550 1 18 . 1 1 66 66 SER CA C 66 56.645 56.645 56.393 0.252 25819 7551 1 18 . 1 1 66 66 SER CB C 66 63.823 63.823 64.754 -0.931 25819 7552 1 18 . 1 1 66 66 SER H H 66 8.938 8.938 8.860 0.078 25819 7553 1 18 . 1 1 67 67 THR N N 67 113.595 113.595 119.950 -6.355 25819 7554 1 18 . 1 1 67 67 THR HA H 67 4.649 4.649 4.881 -0.232 25819 7555 1 18 . 1 1 67 67 THR CA C 67 59.216 59.216 60.964 -1.748 25819 7556 1 18 . 1 1 67 67 THR CB C 67 69.006 69.006 71.560 -2.554 25819 7557 1 18 . 1 1 67 67 THR H H 67 8.258 8.258 8.728 -0.470 25819 7558 1 18 . 1 1 68 68 LEU N N 68 124.152 124.152 122.281 1.871 25819 7559 1 18 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.619 -0.263 25819 7560 1 18 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.068 0.044 25819 7561 1 18 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.468 1.447 25819 7562 1 18 . 1 1 68 68 LEU H H 68 8.616 8.616 8.679 -0.063 25819 7563 1 18 . 1 1 69 69 ASN N N 69 115.821 115.821 115.710 0.111 25819 7564 1 18 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.846 -0.202 25819 7565 1 18 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.397 0.059 25819 7566 1 18 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.518 1.788 25819 7567 1 18 . 1 1 69 69 ASN H H 69 7.965 7.965 7.915 0.050 25819 7568 1 18 . 1 1 70 70 GLN N N 70 114.564 114.564 118.035 -3.471 25819 7569 1 18 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.753 -0.828 25819 7570 1 18 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.236 0.001 25819 7571 1 18 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.680 0.326 25819 7572 1 18 . 1 1 70 70 GLN H H 70 8.287 8.287 8.619 -0.332 25819 7573 1 18 . 1 1 71 71 GLY N N 71 108.006 108.006 109.578 -1.572 25819 7574 1 18 . 1 1 71 71 GLY CA C 71 43.686 43.686 43.750 -0.064 25819 7575 1 18 . 1 1 71 71 GLY H H 71 8.520 8.520 8.578 -0.058 25819 7576 1 18 . 1 1 72 72 ASN N N 72 117.784 117.784 117.446 0.338 25819 7577 1 18 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.815 0.658 25819 7578 1 18 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.026 -0.335 25819 7579 1 18 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.071 -1.175 25819 7580 1 18 . 1 1 72 72 ASN H H 72 8.420 8.420 8.303 0.117 25819 7581 1 18 . 1 1 73 73 VAL N N 73 115.849 115.849 117.307 -1.458 25819 7582 1 18 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.209 0.322 25819 7583 1 18 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.522 -0.547 25819 7584 1 18 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.195 -0.016 25819 7585 1 18 . 1 1 73 73 VAL H H 73 8.990 8.990 8.198 0.792 25819 7586 1 18 . 1 1 74 74 LYS N N 74 123.196 123.196 122.083 1.113 25819 7587 1 18 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.660 0.496 25819 7588 1 18 . 1 1 74 74 LYS CA C 74 53.881 53.881 55.030 -1.149 25819 7589 1 18 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.693 -0.096 25819 7590 1 18 . 1 1 74 74 LYS H H 74 8.716 8.716 8.378 0.338 25819 7591 1 18 . 1 1 75 75 VAL N N 75 129.522 129.522 129.083 0.439 25819 7592 1 18 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.705 -0.163 25819 7593 1 18 . 1 1 75 75 VAL CA C 75 60.816 60.816 62.087 -1.271 25819 7594 1 18 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.560 -1.077 25819 7595 1 18 . 1 1 75 75 VAL H H 75 8.975 8.975 9.077 -0.102 25819 7596 1 18 . 1 1 76 76 THR N N 76 120.548 120.548 122.209 -1.661 25819 7597 1 18 . 1 1 76 76 THR HA H 76 5.066 5.066 4.718 0.348 25819 7598 1 18 . 1 1 76 76 THR CA C 76 59.783 59.783 60.782 -0.999 25819 7599 1 18 . 1 1 76 76 THR CB C 76 70.733 70.733 70.398 0.335 25819 7600 1 18 . 1 1 76 76 THR H H 76 8.650 8.650 8.801 -0.151 25819 7601 1 18 . 1 1 77 77 ALA N N 77 126.454 126.454 128.769 -2.315 25819 7602 1 18 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.626 -1.246 25819 7603 1 18 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.023 -1.593 25819 7604 1 18 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.391 -1.847 25819 7605 1 18 . 1 1 77 77 ALA H H 77 8.674 8.674 8.048 0.626 25819 7606 1 18 . 1 1 78 78 SER N N 78 113.568 113.568 117.284 -3.716 25819 7607 1 18 . 1 1 78 78 SER HA H 78 5.376 5.376 4.820 0.556 25819 7608 1 18 . 1 1 78 78 SER CA C 78 56.077 56.077 57.260 -1.183 25819 7609 1 18 . 1 1 78 78 SER CB C 78 65.730 65.730 66.076 -0.346 25819 7610 1 18 . 1 1 78 78 SER H H 78 8.117 8.117 8.316 -0.199 25819 7611 1 18 . 1 1 79 79 ILE N N 79 121.071 121.071 124.633 -3.562 25819 7612 1 18 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.501 -0.360 25819 7613 1 18 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.006 1.118 25819 7614 1 18 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.362 -2.554 25819 7615 1 18 . 1 1 79 79 ILE H H 79 8.446 8.446 7.661 0.785 25819 7616 1 18 . 1 1 80 80 GLY N N 80 117.157 117.157 116.822 0.335 25819 7617 1 18 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.393 -0.387 25819 7618 1 18 . 1 1 80 80 GLY H H 80 8.899 8.899 8.823 0.076 25819 7619 1 18 . 1 1 81 81 GLY N N 81 110.715 110.715 110.194 0.521 25819 7620 1 18 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.016 -0.638 25819 7621 1 18 . 1 1 81 81 GLY H H 81 8.742 8.742 8.054 0.688 25819 7622 1 18 . 1 1 82 82 ILE N N 82 124.113 124.113 122.226 1.887 25819 7623 1 18 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.235 -0.035 25819 7624 1 18 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.931 -0.898 25819 7625 1 18 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.472 -1.695 25819 7626 1 18 . 1 1 82 82 ILE H H 82 8.188 8.188 8.007 0.181 25819 7627 1 18 . 1 1 83 83 GLN N N 83 122.455 122.455 122.074 0.381 25819 7628 1 18 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.589 0.806 25819 7629 1 18 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.229 -1.209 25819 7630 1 18 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.920 -0.405 25819 7631 1 18 . 1 1 83 83 GLN H H 83 8.423 8.423 8.171 0.252 25819 7632 1 18 . 1 1 84 84 GLY N N 84 111.437 111.437 108.287 3.150 25819 7633 1 18 . 1 1 84 84 GLY H H 84 8.931 8.931 8.929 0.002 25819 7634 1 18 . 1 1 85 85 SER N N 85 113.878 113.878 114.242 -0.364 25819 7635 1 18 . 1 1 85 85 SER HA H 85 5.841 5.841 5.185 0.656 25819 7636 1 18 . 1 1 85 85 SER CA C 85 56.264 56.264 57.395 -1.131 25819 7637 1 18 . 1 1 85 85 SER CB C 85 66.946 66.946 66.615 0.331 25819 7638 1 18 . 1 1 85 85 SER H H 85 8.710 8.710 8.392 0.318 25819 7639 1 18 . 1 1 86 86 THR N N 86 115.389 115.389 117.351 -1.962 25819 7640 1 18 . 1 1 86 86 THR HA H 86 4.772 4.772 4.961 -0.189 25819 7641 1 18 . 1 1 86 86 THR CA C 86 60.313 60.313 61.650 -1.337 25819 7642 1 18 . 1 1 86 86 THR CB C 86 69.852 69.852 72.301 -2.449 25819 7643 1 18 . 1 1 86 86 THR H H 86 8.854 8.854 9.091 -0.237 25819 7644 1 18 . 1 1 87 87 ASP N N 87 124.623 124.623 124.107 0.516 25819 7645 1 18 . 1 1 87 87 ASP HA H 87 5.436 5.436 5.183 0.253 25819 7646 1 18 . 1 1 87 87 ASP CA C 87 53.796 53.796 52.998 0.798 25819 7647 1 18 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.977 -1.967 25819 7648 1 18 . 1 1 87 87 ASP H H 87 7.953 7.953 8.479 -0.526 25819 7649 1 18 . 1 1 88 88 PHE N N 88 123.574 123.574 122.299 1.275 25819 7650 1 18 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.875 -0.944 25819 7651 1 18 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.438 1.530 25819 7652 1 18 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.924 -0.040 25819 7653 1 18 . 1 1 88 88 PHE H H 88 9.094 9.094 8.124 0.970 25819 7654 1 18 . 1 1 89 89 LYS N N 89 126.965 126.965 125.280 1.685 25819 7655 1 18 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.529 0.509 25819 7656 1 18 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.098 -1.209 25819 7657 1 18 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.673 -1.004 25819 7658 1 18 . 1 1 89 89 LYS H H 89 7.269 7.269 8.344 -1.075 25819 7659 1 18 . 1 1 90 90 VAL N N 90 126.148 126.148 129.279 -3.131 25819 7660 1 18 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.322 -0.311 25819 7661 1 18 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.153 -0.605 25819 7662 1 18 . 1 1 90 90 VAL CB C 90 30.948 30.948 34.753 -3.805 25819 7663 1 18 . 1 1 90 90 VAL H H 90 9.086 9.086 8.795 0.291 25819 7664 1 18 . 1 1 91 91 THR N N 91 120.505 120.505 122.767 -2.262 25819 7665 1 18 . 1 1 91 91 THR HA H 91 4.568 4.568 4.742 -0.174 25819 7666 1 18 . 1 1 91 91 THR CA C 91 59.348 59.348 60.574 -1.226 25819 7667 1 18 . 1 1 91 91 THR CB C 91 68.970 68.970 72.585 -3.615 25819 7668 1 18 . 1 1 91 91 THR H H 91 8.757 8.757 8.315 0.442 25819 7669 1 19 . 1 1 2 2 PRO HA H 2 4.277 4.277 5.125 -0.848 25819 7670 1 19 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.856 -1.635 25819 7671 1 19 . 1 1 2 2 PRO CB C 2 31.416 31.416 33.575 -2.159 25819 7672 1 19 . 1 1 3 3 ALA N N 3 123.804 123.804 122.664 1.140 25819 7673 1 19 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.243 -0.037 25819 7674 1 19 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.499 -0.104 25819 7675 1 19 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.511 -1.671 25819 7676 1 19 . 1 1 3 3 ALA H H 3 8.647 8.647 7.977 0.670 25819 7677 1 19 . 1 1 4 4 ALA N N 4 124.058 124.058 123.391 0.667 25819 7678 1 19 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.845 -0.136 25819 7679 1 19 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.693 -0.671 25819 7680 1 19 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.265 -1.368 25819 7681 1 19 . 1 1 4 4 ALA H H 4 8.239 8.239 8.334 -0.095 25819 7682 1 19 . 1 1 5 5 LEU N N 5 124.018 124.018 120.762 3.256 25819 7683 1 19 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.474 -1.102 25819 7684 1 19 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.677 -1.669 25819 7685 1 19 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.041 -0.799 25819 7686 1 19 . 1 1 5 5 LEU H H 5 8.560 8.560 8.687 -0.127 25819 7687 1 19 . 1 1 6 6 VAL N N 6 123.357 123.357 119.569 3.788 25819 7688 1 19 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.352 -0.255 25819 7689 1 19 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.367 -0.027 25819 7690 1 19 . 1 1 6 6 VAL CB C 6 32.948 32.948 34.267 -1.319 25819 7691 1 19 . 1 1 6 6 VAL H H 6 9.119 9.119 8.430 0.689 25819 7692 1 19 . 1 1 7 7 SER N N 7 112.137 112.137 113.154 -1.017 25819 7693 1 19 . 1 1 7 7 SER HA H 7 4.445 4.445 4.654 -0.209 25819 7694 1 19 . 1 1 7 7 SER CA C 7 56.349 56.349 58.261 -1.912 25819 7695 1 19 . 1 1 7 7 SER CB C 7 64.361 64.361 65.555 -1.194 25819 7696 1 19 . 1 1 7 7 SER H H 7 7.680 7.680 7.605 0.075 25819 7697 1 19 . 1 1 8 8 ILE N N 8 118.674 118.674 119.896 -1.222 25819 7698 1 19 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.883 -0.210 25819 7699 1 19 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.535 -1.389 25819 7700 1 19 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.228 -0.554 25819 7701 1 19 . 1 1 8 8 ILE H H 8 8.354 8.354 8.210 0.144 25819 7702 1 19 . 1 1 9 9 SER N N 9 121.319 121.319 123.285 -1.966 25819 7703 1 19 . 1 1 9 9 SER HA H 9 4.863 4.863 4.833 0.030 25819 7704 1 19 . 1 1 9 9 SER CA C 9 55.381 55.381 57.534 -2.153 25819 7705 1 19 . 1 1 9 9 SER CB C 9 64.243 64.243 63.070 1.173 25819 7706 1 19 . 1 1 9 9 SER H H 9 9.028 9.028 8.213 0.815 25819 7707 1 19 . 1 1 10 10 VAL N N 10 127.509 127.509 122.446 5.063 25819 7708 1 19 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.713 0.337 25819 7709 1 19 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.636 1.276 25819 7710 1 19 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.548 -0.161 25819 7711 1 19 . 1 1 10 10 VAL H H 10 8.911 8.911 8.375 0.536 25819 7712 1 19 . 1 1 11 11 SER N N 11 121.860 121.860 122.465 -0.605 25819 7713 1 19 . 1 1 11 11 SER CB C 11 64.373 64.373 63.001 1.372 25819 7714 1 19 . 1 1 11 11 SER H H 11 9.206 9.206 8.595 0.611 25819 7715 1 19 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.743 -0.039 25819 7716 1 19 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.718 -1.819 25819 7717 1 19 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.417 1.671 25819 7718 1 19 . 1 1 13 13 THR N N 13 116.137 116.137 117.602 -1.465 25819 7719 1 19 . 1 1 13 13 THR HA H 13 4.770 4.770 4.504 0.266 25819 7720 1 19 . 1 1 13 13 THR CA C 13 60.153 60.153 61.769 -1.616 25819 7721 1 19 . 1 1 13 13 THR CB C 13 69.426 69.426 70.152 -0.726 25819 7722 1 19 . 1 1 13 13 THR H H 13 8.679 8.679 8.553 0.126 25819 7723 1 19 . 1 1 14 14 ASN N N 14 124.457 124.457 124.808 -0.351 25819 7724 1 19 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.742 -0.047 25819 7725 1 19 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.000 1.128 25819 7726 1 19 . 1 1 14 14 ASN CB C 14 36.593 36.593 37.659 -1.066 25819 7727 1 19 . 1 1 14 14 ASN H H 14 8.710 8.710 8.717 -0.007 25819 7728 1 19 . 1 1 15 15 SER N N 15 113.673 113.673 116.583 -2.910 25819 7729 1 19 . 1 1 15 15 SER HA H 15 4.648 4.648 4.613 0.035 25819 7730 1 19 . 1 1 15 15 SER CA C 15 55.644 55.644 56.864 -1.220 25819 7731 1 19 . 1 1 15 15 SER CB C 15 63.953 63.953 65.313 -1.360 25819 7732 1 19 . 1 1 15 15 SER H H 15 9.127 9.127 7.148 1.979 25819 7733 1 19 . 1 1 16 16 THR N N 16 113.579 113.579 114.730 -1.151 25819 7734 1 19 . 1 1 16 16 THR HA H 16 4.976 4.976 4.758 0.218 25819 7735 1 19 . 1 1 16 16 THR CA C 16 58.445 58.445 60.428 -1.983 25819 7736 1 19 . 1 1 16 16 THR CB C 16 70.534 70.534 70.216 0.318 25819 7737 1 19 . 1 1 16 16 THR H H 16 7.962 7.962 8.150 -0.188 25819 7738 1 19 . 1 1 17 17 VAL N N 17 121.479 121.479 123.153 -1.674 25819 7739 1 19 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.522 -0.202 25819 7740 1 19 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.236 -0.299 25819 7741 1 19 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.328 0.076 25819 7742 1 19 . 1 1 17 17 VAL H H 17 7.969 7.969 9.168 -1.199 25819 7743 1 19 . 1 1 18 18 ALA N N 18 126.014 126.014 127.927 -1.913 25819 7744 1 19 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.325 -0.150 25819 7745 1 19 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.790 -0.827 25819 7746 1 19 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.437 -0.515 25819 7747 1 19 . 1 1 18 18 ALA H H 18 7.756 7.756 8.246 -0.490 25819 7748 1 19 . 1 1 19 19 LYS N N 19 119.741 119.741 121.770 -2.029 25819 7749 1 19 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.135 -0.648 25819 7750 1 19 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.376 0.396 25819 7751 1 19 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.057 -0.456 25819 7752 1 19 . 1 1 19 19 LYS H H 19 7.892 7.892 8.327 -0.435 25819 7753 1 19 . 1 1 20 20 GLY N N 20 116.709 116.709 114.083 2.626 25819 7754 1 19 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.240 -1.477 25819 7755 1 19 . 1 1 20 20 GLY H H 20 8.615 8.615 8.710 -0.095 25819 7756 1 19 . 1 1 21 21 LEU N N 21 123.004 123.004 124.341 -1.337 25819 7757 1 19 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.632 -0.044 25819 7758 1 19 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.513 -1.148 25819 7759 1 19 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.248 -5.286 25819 7760 1 19 . 1 1 21 21 LEU H H 21 8.013 8.013 7.935 0.078 25819 7761 1 19 . 1 1 22 22 GLN N N 22 117.503 117.503 116.215 1.288 25819 7762 1 19 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.096 0.032 25819 7763 1 19 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.463 -0.794 25819 7764 1 19 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.911 -0.997 25819 7765 1 19 . 1 1 22 22 GLN H H 22 8.223 8.223 8.174 0.049 25819 7766 1 19 . 1 1 23 23 GLU N N 23 118.126 118.126 120.400 -2.274 25819 7767 1 19 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.781 -0.218 25819 7768 1 19 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.930 -2.063 25819 7769 1 19 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.972 -1.098 25819 7770 1 19 . 1 1 23 23 GLU H H 23 8.188 8.188 8.629 -0.441 25819 7771 1 19 . 1 1 24 24 ASN N N 24 125.841 125.841 121.954 3.887 25819 7772 1 19 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.258 -0.480 25819 7773 1 19 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.050 -0.539 25819 7774 1 19 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.282 -0.537 25819 7775 1 19 . 1 1 24 24 ASN H H 24 9.390 9.390 8.676 0.714 25819 7776 1 19 . 1 1 25 25 PHE N N 25 122.824 122.824 124.224 -1.400 25819 7777 1 19 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.960 -0.309 25819 7778 1 19 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.960 0.163 25819 7779 1 19 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.419 -4.360 25819 7780 1 19 . 1 1 25 25 PHE H H 25 8.061 8.061 8.723 -0.662 25819 7781 1 19 . 1 1 26 26 LYS N N 26 119.114 119.114 124.487 -5.373 25819 7782 1 19 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.357 0.887 25819 7783 1 19 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.190 -2.214 25819 7784 1 19 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.695 -1.034 25819 7785 1 19 . 1 1 26 26 LYS H H 26 9.255 9.255 7.813 1.442 25819 7786 1 19 . 1 1 27 27 ALA N N 27 125.583 125.583 127.120 -1.537 25819 7787 1 19 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.016 0.246 25819 7788 1 19 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.870 -2.053 25819 7789 1 19 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.084 -0.924 25819 7790 1 19 . 1 1 27 27 ALA H H 27 9.120 9.120 8.320 0.800 25819 7791 1 19 . 1 1 28 28 THR HA H 28 4.837 4.837 4.629 0.208 25819 7792 1 19 . 1 1 28 28 THR CA C 28 60.566 60.566 61.541 -0.975 25819 7793 1 19 . 1 1 28 28 THR CB C 28 69.478 69.478 69.942 -0.464 25819 7794 1 19 . 1 1 28 28 THR H H 28 9.062 9.062 8.009 1.053 25819 7795 1 19 . 1 1 29 29 GLY N N 29 115.789 115.789 113.963 1.826 25819 7796 1 19 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.121 0.195 25819 7797 1 19 . 1 1 29 29 GLY H H 29 9.662 9.662 8.972 0.690 25819 7798 1 19 . 1 1 30 30 ILE N N 30 123.084 123.084 125.069 -1.985 25819 7799 1 19 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.323 0.455 25819 7800 1 19 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.030 -0.642 25819 7801 1 19 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.783 -3.900 25819 7802 1 19 . 1 1 30 30 ILE H H 30 7.914 7.914 8.866 -0.952 25819 7803 1 19 . 1 1 31 31 PHE N N 31 125.209 125.209 122.439 2.770 25819 7804 1 19 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.319 0.051 25819 7805 1 19 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.684 0.802 25819 7806 1 19 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.028 -0.875 25819 7807 1 19 . 1 1 31 31 PHE H H 31 8.316 8.316 7.802 0.514 25819 7808 1 19 . 1 1 32 32 THR N N 32 113.842 113.842 117.455 -3.613 25819 7809 1 19 . 1 1 32 32 THR HA H 32 4.404 4.404 4.216 0.188 25819 7810 1 19 . 1 1 32 32 THR CA C 32 64.157 64.157 65.775 -1.617 25819 7811 1 19 . 1 1 32 32 THR CB C 32 68.540 68.540 69.041 -0.501 25819 7812 1 19 . 1 1 32 32 THR H H 32 9.335 9.335 8.935 0.400 25819 7813 1 19 . 1 1 33 33 ASP N N 33 118.799 118.799 120.075 -1.276 25819 7814 1 19 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.704 -0.083 25819 7815 1 19 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.019 -1.056 25819 7816 1 19 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.239 -1.745 25819 7817 1 19 . 1 1 33 33 ASP H H 33 7.689 7.689 8.297 -0.608 25819 7818 1 19 . 1 1 34 34 ASN N N 34 112.993 112.993 113.970 -0.977 25819 7819 1 19 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.354 -0.006 25819 7820 1 19 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.654 -0.308 25819 7821 1 19 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.575 -0.085 25819 7822 1 19 . 1 1 34 34 ASN H H 34 8.370 8.370 8.011 0.359 25819 7823 1 19 . 1 1 35 35 SER N N 35 115.543 115.543 115.405 0.138 25819 7824 1 19 . 1 1 35 35 SER HA H 35 4.413 4.413 4.629 -0.216 25819 7825 1 19 . 1 1 35 35 SER CA C 35 57.882 57.882 57.488 0.394 25819 7826 1 19 . 1 1 35 35 SER CB C 35 63.770 63.770 64.192 -0.422 25819 7827 1 19 . 1 1 35 35 SER H H 35 7.990 7.990 7.997 -0.007 25819 7828 1 19 . 1 1 36 36 ASN N N 36 116.051 116.051 124.676 -8.625 25819 7829 1 19 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.275 -2.601 25819 7830 1 19 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.962 1.837 25819 7831 1 19 . 1 1 36 36 ASN H H 36 8.518 8.518 8.726 -0.208 25819 7832 1 19 . 1 1 37 37 SER N N 37 113.191 113.191 116.310 -3.119 25819 7833 1 19 . 1 1 37 37 SER HA H 37 4.715 4.715 4.803 -0.088 25819 7834 1 19 . 1 1 37 37 SER CA C 37 56.801 56.801 57.130 -0.329 25819 7835 1 19 . 1 1 37 37 SER CB C 37 64.872 64.872 65.802 -0.930 25819 7836 1 19 . 1 1 37 37 SER H H 37 8.667 8.667 8.724 -0.057 25819 7837 1 19 . 1 1 38 38 ASP N N 38 123.961 123.961 120.874 3.087 25819 7838 1 19 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.892 0.095 25819 7839 1 19 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.148 1.053 25819 7840 1 19 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.105 -1.176 25819 7841 1 19 . 1 1 38 38 ASP H H 38 8.848 8.848 8.467 0.381 25819 7842 1 19 . 1 1 39 39 ILE N N 39 121.217 121.217 115.926 5.291 25819 7843 1 19 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.794 1.077 25819 7844 1 19 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.865 -2.158 25819 7845 1 19 . 1 1 39 39 ILE CB C 39 37.086 37.086 34.933 2.153 25819 7846 1 19 . 1 1 39 39 ILE H H 39 8.815 8.815 8.375 0.440 25819 7847 1 19 . 1 1 40 40 THR N N 40 122.868 122.868 115.624 7.244 25819 7848 1 19 . 1 1 40 40 THR HA H 40 4.288 4.288 4.123 0.165 25819 7849 1 19 . 1 1 40 40 THR CB C 40 68.527 68.527 68.804 -0.277 25819 7850 1 19 . 1 1 40 40 THR H H 40 8.679 8.679 8.316 0.363 25819 7851 1 19 . 1 1 41 41 ASP N N 41 114.082 114.082 119.348 -5.266 25819 7852 1 19 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.822 -1.124 25819 7853 1 19 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.497 -1.019 25819 7854 1 19 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.707 -1.989 25819 7855 1 19 . 1 1 41 41 ASP H H 41 8.539 8.539 8.477 0.062 25819 7856 1 19 . 1 1 42 42 GLN N N 42 117.086 117.086 116.338 0.748 25819 7857 1 19 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.013 0.138 25819 7858 1 19 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.835 -0.299 25819 7859 1 19 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.036 3.180 25819 7860 1 19 . 1 1 42 42 GLN H H 42 7.718 7.718 7.567 0.151 25819 7861 1 19 . 1 1 43 43 VAL N N 43 109.916 109.916 119.492 -9.576 25819 7862 1 19 . 1 1 43 43 VAL HA H 43 4.089 4.089 3.889 0.200 25819 7863 1 19 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.758 -4.918 25819 7864 1 19 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.539 -1.266 25819 7865 1 19 . 1 1 43 43 VAL H H 43 6.902 6.902 8.136 -1.234 25819 7866 1 19 . 1 1 44 44 THR N N 44 116.273 116.273 126.545 -10.272 25819 7867 1 19 . 1 1 44 44 THR HA H 44 4.315 4.315 4.371 -0.056 25819 7868 1 19 . 1 1 44 44 THR CA C 44 61.651 61.651 62.854 -1.203 25819 7869 1 19 . 1 1 44 44 THR CB C 44 68.890 68.890 68.777 0.113 25819 7870 1 19 . 1 1 44 44 THR H H 44 8.787 8.787 8.756 0.031 25819 7871 1 19 . 1 1 45 45 TRP N N 45 132.098 132.098 123.916 8.182 25819 7872 1 19 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.826 0.419 25819 7873 1 19 . 1 1 45 45 TRP CA C 45 55.387 55.387 55.109 0.278 25819 7874 1 19 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.815 -0.738 25819 7875 1 19 . 1 1 45 45 TRP H H 45 10.351 10.351 7.971 2.380 25819 7876 1 19 . 1 1 46 46 ASP N N 46 121.897 121.897 121.276 0.621 25819 7877 1 19 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.934 -0.077 25819 7878 1 19 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.439 -0.642 25819 7879 1 19 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.106 0.969 25819 7880 1 19 . 1 1 46 46 ASP H H 46 9.471 9.471 8.313 1.158 25819 7881 1 19 . 1 1 47 47 SER N N 47 113.803 113.803 118.837 -5.034 25819 7882 1 19 . 1 1 47 47 SER HA H 47 5.043 5.043 5.393 -0.350 25819 7883 1 19 . 1 1 47 47 SER CA C 47 53.059 53.059 56.640 -3.581 25819 7884 1 19 . 1 1 47 47 SER CB C 47 64.880 64.880 66.653 -1.774 25819 7885 1 19 . 1 1 47 47 SER H H 47 8.502 8.502 8.443 0.059 25819 7886 1 19 . 1 1 48 48 SER N N 48 119.614 119.614 119.204 0.410 25819 7887 1 19 . 1 1 48 48 SER HA H 48 4.264 4.264 4.257 0.007 25819 7888 1 19 . 1 1 48 48 SER CA C 48 59.404 59.404 60.219 -0.816 25819 7889 1 19 . 1 1 48 48 SER CB C 48 62.026 62.026 63.592 -1.566 25819 7890 1 19 . 1 1 48 48 SER H H 48 8.517 8.517 8.579 -0.062 25819 7891 1 19 . 1 1 49 49 ASN N N 49 118.259 118.259 116.299 1.960 25819 7892 1 19 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.558 0.340 25819 7893 1 19 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.266 -1.425 25819 7894 1 19 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.510 -0.790 25819 7895 1 19 . 1 1 49 49 ASN H H 49 7.816 7.816 8.488 -0.672 25819 7896 1 19 . 1 1 50 50 THR N N 50 119.289 119.289 115.628 3.661 25819 7897 1 19 . 1 1 50 50 THR HA H 50 4.541 4.541 4.475 0.066 25819 7898 1 19 . 1 1 50 50 THR CA C 50 62.137 62.137 62.670 -0.533 25819 7899 1 19 . 1 1 50 50 THR CB C 50 67.100 67.100 69.977 -2.877 25819 7900 1 19 . 1 1 50 50 THR H H 50 9.049 9.049 8.359 0.690 25819 7901 1 19 . 1 1 51 51 ASP N N 51 118.825 118.825 119.703 -0.878 25819 7902 1 19 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.686 -0.100 25819 7903 1 19 . 1 1 51 51 ASP CA C 51 54.690 54.690 55.054 -0.364 25819 7904 1 19 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.009 -2.351 25819 7905 1 19 . 1 1 51 51 ASP H H 51 8.251 8.251 8.287 -0.036 25819 7906 1 19 . 1 1 52 52 ILE N N 52 118.411 118.411 119.435 -1.024 25819 7907 1 19 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.227 -0.302 25819 7908 1 19 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.745 -0.064 25819 7909 1 19 . 1 1 52 52 ILE CB C 52 38.896 38.896 37.899 0.997 25819 7910 1 19 . 1 1 52 52 ILE H H 52 7.169 7.169 7.823 -0.654 25819 7911 1 19 . 1 1 53 53 LEU N N 53 120.128 120.128 122.597 -2.469 25819 7912 1 19 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.059 -0.038 25819 7913 1 19 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.718 -0.437 25819 7914 1 19 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.893 1.512 25819 7915 1 19 . 1 1 53 53 LEU H H 53 7.876 7.876 7.706 0.170 25819 7916 1 19 . 1 1 54 54 SER N N 54 122.251 122.251 116.402 5.849 25819 7917 1 19 . 1 1 54 54 SER HA H 54 4.959 4.959 4.820 0.139 25819 7918 1 19 . 1 1 54 54 SER CA C 54 54.724 54.724 57.648 -2.924 25819 7919 1 19 . 1 1 54 54 SER CB C 54 64.417 64.417 66.927 -2.510 25819 7920 1 19 . 1 1 54 54 SER H H 54 8.650 8.650 8.494 0.156 25819 7921 1 19 . 1 1 55 55 ILE N N 55 123.973 123.973 123.518 0.455 25819 7922 1 19 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.122 0.779 25819 7923 1 19 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.281 -1.413 25819 7924 1 19 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.850 1.568 25819 7925 1 19 . 1 1 55 55 ILE H H 55 9.082 9.082 8.375 0.707 25819 7926 1 19 . 1 1 56 56 SER N N 56 119.539 119.539 123.079 -3.540 25819 7927 1 19 . 1 1 56 56 SER HA H 56 4.387 4.387 4.276 0.111 25819 7928 1 19 . 1 1 56 56 SER CA C 56 56.626 56.626 56.966 -0.340 25819 7929 1 19 . 1 1 56 56 SER CB C 56 63.106 63.106 64.161 -1.055 25819 7930 1 19 . 1 1 56 56 SER H H 56 7.905 7.905 8.455 -0.550 25819 7931 1 19 . 1 1 57 57 ASN N N 57 124.209 124.209 124.554 -0.345 25819 7932 1 19 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.790 0.229 25819 7933 1 19 . 1 1 57 57 ASN CA C 57 52.469 52.469 54.028 -1.559 25819 7934 1 19 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.317 0.773 25819 7935 1 19 . 1 1 57 57 ASN H H 57 8.945 8.945 8.539 0.406 25819 7936 1 19 . 1 1 58 58 ALA N N 58 124.300 124.300 122.830 1.470 25819 7937 1 19 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.376 -0.243 25819 7938 1 19 . 1 1 58 58 ALA CA C 58 51.287 51.287 53.448 -2.161 25819 7939 1 19 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.207 0.147 25819 7940 1 19 . 1 1 58 58 ALA H H 58 8.150 8.150 8.348 -0.198 25819 7941 1 19 . 1 1 59 59 SER N N 59 113.299 113.299 113.708 -0.409 25819 7942 1 19 . 1 1 59 59 SER HA H 59 4.698 4.698 4.232 0.466 25819 7943 1 19 . 1 1 59 59 SER CA C 59 60.003 60.003 60.696 -0.693 25819 7944 1 19 . 1 1 59 59 SER CB C 59 62.574 62.574 63.411 -0.837 25819 7945 1 19 . 1 1 59 59 SER H H 59 8.377 8.377 8.269 0.108 25819 7946 1 19 . 1 1 60 60 ASP N N 60 116.275 116.275 117.140 -0.865 25819 7947 1 19 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.818 -0.156 25819 7948 1 19 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.480 -1.721 25819 7949 1 19 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.414 -1.702 25819 7950 1 19 . 1 1 60 60 ASP H H 60 8.311 8.311 7.729 0.582 25819 7951 1 19 . 1 1 61 61 SER N N 61 112.649 112.649 113.144 -0.495 25819 7952 1 19 . 1 1 61 61 SER HA H 61 4.630 4.630 4.091 0.539 25819 7953 1 19 . 1 1 61 61 SER CA C 61 56.180 56.180 61.182 -5.002 25819 7954 1 19 . 1 1 61 61 SER CB C 61 61.843 61.843 61.763 0.080 25819 7955 1 19 . 1 1 61 61 SER H H 61 7.588 7.588 8.486 -0.898 25819 7956 1 19 . 1 1 62 62 HIS N N 62 119.790 119.790 125.857 -6.067 25819 7957 1 19 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.352 -0.305 25819 7958 1 19 . 1 1 62 62 HIS CA C 62 56.919 56.919 57.795 -0.876 25819 7959 1 19 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.492 -2.968 25819 7960 1 19 . 1 1 62 62 HIS H H 62 8.030 8.030 8.112 -0.082 25819 7961 1 19 . 1 1 63 63 GLY N N 63 113.301 113.301 110.510 2.791 25819 7962 1 19 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.357 -0.704 25819 7963 1 19 . 1 1 63 63 GLY H H 63 8.733 8.733 7.945 0.788 25819 7964 1 19 . 1 1 64 64 LEU N N 64 120.664 120.664 124.244 -3.580 25819 7965 1 19 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.079 -0.693 25819 7966 1 19 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.425 0.468 25819 7967 1 19 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.998 -4.535 25819 7968 1 19 . 1 1 64 64 LEU H H 64 7.679 7.679 7.791 -0.112 25819 7969 1 19 . 1 1 65 65 ALA N N 65 108.347 108.347 123.789 -15.442 25819 7970 1 19 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.570 0.832 25819 7971 1 19 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.467 -1.200 25819 7972 1 19 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.625 -0.070 25819 7973 1 19 . 1 1 65 65 ALA H H 65 9.874 9.874 8.841 1.033 25819 7974 1 19 . 1 1 66 66 SER N N 66 115.951 115.951 118.778 -2.827 25819 7975 1 19 . 1 1 66 66 SER HA H 66 4.909 4.909 5.077 -0.168 25819 7976 1 19 . 1 1 66 66 SER CA C 66 56.645 56.645 57.050 -0.405 25819 7977 1 19 . 1 1 66 66 SER CB C 66 63.823 63.823 65.044 -1.221 25819 7978 1 19 . 1 1 66 66 SER H H 66 8.938 8.938 8.523 0.415 25819 7979 1 19 . 1 1 67 67 THR N N 67 113.595 113.595 121.516 -7.921 25819 7980 1 19 . 1 1 67 67 THR HA H 67 4.649 4.649 4.663 -0.014 25819 7981 1 19 . 1 1 67 67 THR CA C 67 59.216 59.216 60.727 -1.511 25819 7982 1 19 . 1 1 67 67 THR CB C 67 69.006 69.006 70.434 -1.428 25819 7983 1 19 . 1 1 67 67 THR H H 67 8.258 8.258 8.284 -0.026 25819 7984 1 19 . 1 1 68 68 LEU N N 68 124.152 124.152 127.095 -2.943 25819 7985 1 19 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.585 -0.229 25819 7986 1 19 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.320 0.792 25819 7987 1 19 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.032 0.883 25819 7988 1 19 . 1 1 68 68 LEU H H 68 8.616 8.616 8.592 0.024 25819 7989 1 19 . 1 1 69 69 ASN N N 69 115.821 115.821 117.713 -1.892 25819 7990 1 19 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.960 -0.316 25819 7991 1 19 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.018 -0.562 25819 7992 1 19 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.691 1.615 25819 7993 1 19 . 1 1 69 69 ASN H H 69 7.965 7.965 7.594 0.371 25819 7994 1 19 . 1 1 70 70 GLN N N 70 114.564 114.564 118.255 -3.691 25819 7995 1 19 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.592 -0.667 25819 7996 1 19 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.117 0.120 25819 7997 1 19 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.803 0.203 25819 7998 1 19 . 1 1 70 70 GLN H H 70 8.287 8.287 8.651 -0.364 25819 7999 1 19 . 1 1 71 71 GLY N N 71 108.006 108.006 108.570 -0.564 25819 8000 1 19 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.734 -1.048 25819 8001 1 19 . 1 1 71 71 GLY H H 71 8.520 8.520 7.755 0.765 25819 8002 1 19 . 1 1 72 72 ASN N N 72 117.784 117.784 118.144 -0.360 25819 8003 1 19 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.156 0.317 25819 8004 1 19 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.685 -0.994 25819 8005 1 19 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.136 -0.240 25819 8006 1 19 . 1 1 72 72 ASN H H 72 8.420 8.420 8.430 -0.010 25819 8007 1 19 . 1 1 73 73 VAL N N 73 115.849 115.849 116.374 -0.525 25819 8008 1 19 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.531 -0.000 25819 8009 1 19 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.254 -0.279 25819 8010 1 19 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.013 0.166 25819 8011 1 19 . 1 1 73 73 VAL H H 73 8.990 8.990 8.707 0.283 25819 8012 1 19 . 1 1 74 74 LYS N N 74 123.196 123.196 124.714 -1.518 25819 8013 1 19 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.753 0.403 25819 8014 1 19 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.651 -0.770 25819 8015 1 19 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.752 -1.155 25819 8016 1 19 . 1 1 74 74 LYS H H 74 8.716 8.716 8.532 0.184 25819 8017 1 19 . 1 1 75 75 VAL N N 75 129.522 129.522 128.398 1.124 25819 8018 1 19 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.513 0.028 25819 8019 1 19 . 1 1 75 75 VAL CA C 75 60.816 60.816 62.188 -1.372 25819 8020 1 19 . 1 1 75 75 VAL CB C 75 32.483 32.483 31.898 0.585 25819 8021 1 19 . 1 1 75 75 VAL H H 75 8.975 8.975 8.400 0.575 25819 8022 1 19 . 1 1 76 76 THR N N 76 120.548 120.548 122.554 -2.006 25819 8023 1 19 . 1 1 76 76 THR HA H 76 5.066 5.066 4.770 0.296 25819 8024 1 19 . 1 1 76 76 THR CA C 76 59.783 59.783 60.482 -0.699 25819 8025 1 19 . 1 1 76 76 THR CB C 76 70.733 70.733 70.834 -0.101 25819 8026 1 19 . 1 1 76 76 THR H H 76 8.650 8.650 8.993 -0.343 25819 8027 1 19 . 1 1 77 77 ALA N N 77 126.454 126.454 127.501 -1.047 25819 8028 1 19 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.321 -0.941 25819 8029 1 19 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.251 -1.821 25819 8030 1 19 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.833 -2.289 25819 8031 1 19 . 1 1 77 77 ALA H H 77 8.674 8.674 8.027 0.647 25819 8032 1 19 . 1 1 78 78 SER N N 78 113.568 113.568 114.461 -0.893 25819 8033 1 19 . 1 1 78 78 SER HA H 78 5.376 5.376 4.897 0.479 25819 8034 1 19 . 1 1 78 78 SER CA C 78 56.077 56.077 57.449 -1.372 25819 8035 1 19 . 1 1 78 78 SER CB C 78 65.730 65.730 65.993 -0.263 25819 8036 1 19 . 1 1 78 78 SER H H 78 8.117 8.117 8.643 -0.526 25819 8037 1 19 . 1 1 79 79 ILE N N 79 121.071 121.071 123.741 -2.670 25819 8038 1 19 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.495 -0.354 25819 8039 1 19 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.536 1.588 25819 8040 1 19 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.999 -3.190 25819 8041 1 19 . 1 1 79 79 ILE H H 79 8.446 8.446 7.905 0.541 25819 8042 1 19 . 1 1 80 80 GLY N N 80 117.157 117.157 110.829 6.328 25819 8043 1 19 . 1 1 80 80 GLY CA C 80 46.006 46.006 47.112 -1.106 25819 8044 1 19 . 1 1 80 80 GLY H H 80 8.899 8.899 8.645 0.254 25819 8045 1 19 . 1 1 81 81 GLY N N 81 110.715 110.715 109.990 0.725 25819 8046 1 19 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.087 -0.709 25819 8047 1 19 . 1 1 81 81 GLY H H 81 8.742 8.742 7.935 0.807 25819 8048 1 19 . 1 1 82 82 ILE N N 82 124.113 124.113 118.715 5.398 25819 8049 1 19 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.294 -0.094 25819 8050 1 19 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.106 -1.073 25819 8051 1 19 . 1 1 82 82 ILE CB C 82 36.777 36.777 40.671 -3.894 25819 8052 1 19 . 1 1 82 82 ILE H H 82 8.188 8.188 7.723 0.465 25819 8053 1 19 . 1 1 83 83 GLN N N 83 122.455 122.455 123.716 -1.261 25819 8054 1 19 . 1 1 83 83 GLN HA H 83 5.395 5.395 5.011 0.384 25819 8055 1 19 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.418 -1.398 25819 8056 1 19 . 1 1 83 83 GLN CB C 83 32.515 32.515 31.887 0.628 25819 8057 1 19 . 1 1 83 83 GLN H H 83 8.423 8.423 8.442 -0.019 25819 8058 1 19 . 1 1 84 84 GLY N N 84 111.437 111.437 107.877 3.560 25819 8059 1 19 . 1 1 84 84 GLY H H 84 8.931 8.931 8.049 0.882 25819 8060 1 19 . 1 1 85 85 SER N N 85 113.878 113.878 113.615 0.263 25819 8061 1 19 . 1 1 85 85 SER HA H 85 5.841 5.841 5.370 0.471 25819 8062 1 19 . 1 1 85 85 SER CA C 85 56.264 56.264 57.136 -0.872 25819 8063 1 19 . 1 1 85 85 SER CB C 85 66.946 66.946 66.671 0.275 25819 8064 1 19 . 1 1 85 85 SER H H 85 8.710 8.710 8.344 0.366 25819 8065 1 19 . 1 1 86 86 THR N N 86 115.389 115.389 114.623 0.766 25819 8066 1 19 . 1 1 86 86 THR HA H 86 4.772 4.772 4.561 0.211 25819 8067 1 19 . 1 1 86 86 THR CA C 86 60.313 60.313 61.333 -1.020 25819 8068 1 19 . 1 1 86 86 THR CB C 86 69.852 69.852 71.473 -1.621 25819 8069 1 19 . 1 1 86 86 THR H H 86 8.854 8.854 8.580 0.274 25819 8070 1 19 . 1 1 87 87 ASP N N 87 124.623 124.623 122.155 2.468 25819 8071 1 19 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.951 0.485 25819 8072 1 19 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.305 0.491 25819 8073 1 19 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.750 -0.740 25819 8074 1 19 . 1 1 87 87 ASP H H 87 7.953 7.953 8.426 -0.473 25819 8075 1 19 . 1 1 88 88 PHE N N 88 123.574 123.574 124.780 -1.206 25819 8076 1 19 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.611 -0.680 25819 8077 1 19 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.390 0.578 25819 8078 1 19 . 1 1 88 88 PHE CB C 88 42.884 42.884 44.053 -1.169 25819 8079 1 19 . 1 1 88 88 PHE H H 88 9.094 9.094 9.171 -0.077 25819 8080 1 19 . 1 1 89 89 LYS N N 89 126.965 126.965 124.038 2.927 25819 8081 1 19 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.787 0.251 25819 8082 1 19 . 1 1 89 89 LYS CA C 89 53.889 53.889 54.738 -0.849 25819 8083 1 19 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.312 -0.643 25819 8084 1 19 . 1 1 89 89 LYS H H 89 7.269 7.269 8.444 -1.175 25819 8085 1 19 . 1 1 90 90 VAL N N 90 126.148 126.148 128.848 -2.700 25819 8086 1 19 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.418 -0.407 25819 8087 1 19 . 1 1 90 90 VAL CA C 90 59.547 59.547 58.876 0.671 25819 8088 1 19 . 1 1 90 90 VAL CB C 90 30.948 30.948 34.694 -3.747 25819 8089 1 19 . 1 1 90 90 VAL H H 90 9.086 9.086 8.709 0.377 25819 8090 1 19 . 1 1 91 91 THR N N 91 120.505 120.505 122.176 -1.671 25819 8091 1 19 . 1 1 91 91 THR HA H 91 4.568 4.568 4.671 -0.103 25819 8092 1 19 . 1 1 91 91 THR CA C 91 59.348 59.348 60.448 -1.100 25819 8093 1 19 . 1 1 91 91 THR CB C 91 68.970 68.970 70.793 -1.823 25819 8094 1 19 . 1 1 91 91 THR H H 91 8.757 8.757 7.983 0.774 25819 8095 1 20 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.602 -0.325 25819 8096 1 20 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.821 -1.600 25819 8097 1 20 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.561 -1.145 25819 8098 1 20 . 1 1 3 3 ALA N N 3 123.804 123.804 124.502 -0.698 25819 8099 1 20 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.696 -0.490 25819 8100 1 20 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.269 0.126 25819 8101 1 20 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.895 -2.055 25819 8102 1 20 . 1 1 3 3 ALA H H 3 8.647 8.647 8.215 0.432 25819 8103 1 20 . 1 1 4 4 ALA N N 4 124.058 124.058 124.999 -0.941 25819 8104 1 20 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.806 -0.097 25819 8105 1 20 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.804 -0.782 25819 8106 1 20 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.008 -1.111 25819 8107 1 20 . 1 1 4 4 ALA H H 4 8.239 8.239 8.437 -0.198 25819 8108 1 20 . 1 1 5 5 LEU N N 5 124.018 124.018 122.388 1.630 25819 8109 1 20 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.976 -0.604 25819 8110 1 20 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.377 -1.369 25819 8111 1 20 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.739 -0.497 25819 8112 1 20 . 1 1 5 5 LEU H H 5 8.560 8.560 8.753 -0.193 25819 8113 1 20 . 1 1 6 6 VAL N N 6 123.357 123.357 122.131 1.226 25819 8114 1 20 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.181 -0.084 25819 8115 1 20 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.931 -0.591 25819 8116 1 20 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.810 -0.862 25819 8117 1 20 . 1 1 6 6 VAL H H 6 9.119 9.119 8.311 0.808 25819 8118 1 20 . 1 1 7 7 SER N N 7 112.137 112.137 113.512 -1.375 25819 8119 1 20 . 1 1 7 7 SER HA H 7 4.445 4.445 4.803 -0.358 25819 8120 1 20 . 1 1 7 7 SER CA C 7 56.349 56.349 57.715 -1.366 25819 8121 1 20 . 1 1 7 7 SER CB C 7 64.361 64.361 66.433 -2.072 25819 8122 1 20 . 1 1 7 7 SER H H 7 7.680 7.680 7.572 0.108 25819 8123 1 20 . 1 1 8 8 ILE N N 8 118.674 118.674 115.360 3.314 25819 8124 1 20 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.209 -0.536 25819 8125 1 20 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.526 -0.380 25819 8126 1 20 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.603 -0.929 25819 8127 1 20 . 1 1 8 8 ILE H H 8 8.354 8.354 8.199 0.155 25819 8128 1 20 . 1 1 9 9 SER N N 9 121.319 121.319 120.490 0.829 25819 8129 1 20 . 1 1 9 9 SER HA H 9 4.863 4.863 4.934 -0.071 25819 8130 1 20 . 1 1 9 9 SER CA C 9 55.381 55.381 57.700 -2.319 25819 8131 1 20 . 1 1 9 9 SER CB C 9 64.243 64.243 63.407 0.836 25819 8132 1 20 . 1 1 9 9 SER H H 9 9.028 9.028 8.818 0.210 25819 8133 1 20 . 1 1 10 10 VAL N N 10 127.509 127.509 120.431 7.078 25819 8134 1 20 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.948 0.102 25819 8135 1 20 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.776 1.136 25819 8136 1 20 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.442 -1.055 25819 8137 1 20 . 1 1 10 10 VAL H H 10 8.911 8.911 8.600 0.311 25819 8138 1 20 . 1 1 11 11 SER N N 11 121.860 121.860 120.830 1.030 25819 8139 1 20 . 1 1 11 11 SER CB C 11 64.373 64.373 62.104 2.269 25819 8140 1 20 . 1 1 11 11 SER H H 11 9.206 9.206 8.524 0.682 25819 8141 1 20 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.318 0.386 25819 8142 1 20 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.824 -1.925 25819 8143 1 20 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.337 1.752 25819 8144 1 20 . 1 1 13 13 THR N N 13 116.137 116.137 118.576 -2.439 25819 8145 1 20 . 1 1 13 13 THR HA H 13 4.770 4.770 4.382 0.388 25819 8146 1 20 . 1 1 13 13 THR CA C 13 60.153 60.153 61.628 -1.475 25819 8147 1 20 . 1 1 13 13 THR CB C 13 69.426 69.426 70.385 -0.959 25819 8148 1 20 . 1 1 13 13 THR H H 13 8.679 8.679 8.414 0.265 25819 8149 1 20 . 1 1 14 14 ASN N N 14 124.457 124.457 125.140 -0.683 25819 8150 1 20 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.866 -0.171 25819 8151 1 20 . 1 1 14 14 ASN CA C 14 53.128 53.128 51.591 1.537 25819 8152 1 20 . 1 1 14 14 ASN CB C 14 36.593 36.593 37.987 -1.394 25819 8153 1 20 . 1 1 14 14 ASN H H 14 8.710 8.710 8.616 0.094 25819 8154 1 20 . 1 1 15 15 SER N N 15 113.673 113.673 116.288 -2.615 25819 8155 1 20 . 1 1 15 15 SER HA H 15 4.648 4.648 4.556 0.092 25819 8156 1 20 . 1 1 15 15 SER CA C 15 55.644 55.644 57.307 -1.663 25819 8157 1 20 . 1 1 15 15 SER CB C 15 63.953 63.953 65.602 -1.649 25819 8158 1 20 . 1 1 15 15 SER H H 15 9.127 9.127 7.314 1.813 25819 8159 1 20 . 1 1 16 16 THR N N 16 113.579 113.579 115.728 -2.149 25819 8160 1 20 . 1 1 16 16 THR HA H 16 4.976 4.976 4.843 0.133 25819 8161 1 20 . 1 1 16 16 THR CA C 16 58.445 58.445 60.279 -1.835 25819 8162 1 20 . 1 1 16 16 THR CB C 16 70.534 70.534 70.131 0.403 25819 8163 1 20 . 1 1 16 16 THR H H 16 7.962 7.962 8.178 -0.216 25819 8164 1 20 . 1 1 17 17 VAL N N 17 121.479 121.479 120.423 1.056 25819 8165 1 20 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.634 -0.314 25819 8166 1 20 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.167 0.770 25819 8167 1 20 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.125 0.279 25819 8168 1 20 . 1 1 17 17 VAL H H 17 7.969 7.969 8.769 -0.800 25819 8169 1 20 . 1 1 18 18 ALA N N 18 126.014 126.014 125.012 1.002 25819 8170 1 20 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.305 -0.130 25819 8171 1 20 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.126 -1.163 25819 8172 1 20 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.381 -0.459 25819 8173 1 20 . 1 1 18 18 ALA H H 18 7.756 7.756 8.372 -0.616 25819 8174 1 20 . 1 1 19 19 LYS N N 19 119.741 119.741 121.043 -1.302 25819 8175 1 20 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.070 -0.583 25819 8176 1 20 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.630 0.142 25819 8177 1 20 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.477 -0.875 25819 8178 1 20 . 1 1 19 19 LYS H H 19 7.892 7.892 8.152 -0.260 25819 8179 1 20 . 1 1 20 20 GLY N N 20 116.709 116.709 114.821 1.888 25819 8180 1 20 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.447 -1.684 25819 8181 1 20 . 1 1 20 20 GLY H H 20 8.615 8.615 8.761 -0.146 25819 8182 1 20 . 1 1 21 21 LEU N N 21 123.004 123.004 119.890 3.114 25819 8183 1 20 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.864 -0.276 25819 8184 1 20 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.559 -0.194 25819 8185 1 20 . 1 1 21 21 LEU CB C 21 40.962 40.962 44.290 -3.328 25819 8186 1 20 . 1 1 21 21 LEU H H 21 8.013 8.013 7.915 0.098 25819 8187 1 20 . 1 1 22 22 GLN N N 22 117.503 117.503 116.010 1.493 25819 8188 1 20 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.222 -0.094 25819 8189 1 20 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.523 -0.854 25819 8190 1 20 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.231 -1.317 25819 8191 1 20 . 1 1 22 22 GLN H H 22 8.223 8.223 8.149 0.074 25819 8192 1 20 . 1 1 23 23 GLU N N 23 118.126 118.126 120.951 -2.825 25819 8193 1 20 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.716 -0.153 25819 8194 1 20 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.139 -2.272 25819 8195 1 20 . 1 1 23 23 GLU CB C 23 32.874 32.874 34.239 -1.365 25819 8196 1 20 . 1 1 23 23 GLU H H 23 8.188 8.188 8.595 -0.407 25819 8197 1 20 . 1 1 24 24 ASN N N 24 125.841 125.841 120.457 5.384 25819 8198 1 20 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.079 -0.301 25819 8199 1 20 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.275 -0.764 25819 8200 1 20 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.113 -0.367 25819 8201 1 20 . 1 1 24 24 ASN H H 24 9.390 9.390 8.620 0.770 25819 8202 1 20 . 1 1 25 25 PHE N N 25 122.824 122.824 122.303 0.521 25819 8203 1 20 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.617 0.034 25819 8204 1 20 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.487 0.636 25819 8205 1 20 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.733 -3.674 25819 8206 1 20 . 1 1 25 25 PHE H H 25 8.061 8.061 8.672 -0.611 25819 8207 1 20 . 1 1 26 26 LYS N N 26 119.114 119.114 120.858 -1.744 25819 8208 1 20 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.864 0.380 25819 8209 1 20 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.890 -2.914 25819 8210 1 20 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.665 -2.004 25819 8211 1 20 . 1 1 26 26 LYS H H 26 9.255 9.255 8.463 0.792 25819 8212 1 20 . 1 1 27 27 ALA N N 27 125.583 125.583 127.144 -1.561 25819 8213 1 20 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.602 -0.340 25819 8214 1 20 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.041 -2.224 25819 8215 1 20 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.611 -1.451 25819 8216 1 20 . 1 1 27 27 ALA H H 27 9.120 9.120 9.000 0.120 25819 8217 1 20 . 1 1 28 28 THR HA H 28 4.837 4.837 4.893 -0.056 25819 8218 1 20 . 1 1 28 28 THR CA C 28 60.566 60.566 61.369 -0.803 25819 8219 1 20 . 1 1 28 28 THR CB C 28 69.478 69.478 70.545 -1.067 25819 8220 1 20 . 1 1 28 28 THR H H 28 9.062 9.062 8.514 0.548 25819 8221 1 20 . 1 1 29 29 GLY N N 29 115.789 115.789 113.584 2.205 25819 8222 1 20 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.831 0.485 25819 8223 1 20 . 1 1 29 29 GLY H H 29 9.662 9.662 9.218 0.444 25819 8224 1 20 . 1 1 30 30 ILE N N 30 123.084 123.084 122.859 0.225 25819 8225 1 20 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.510 0.268 25819 8226 1 20 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.220 -0.832 25819 8227 1 20 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.168 -4.285 25819 8228 1 20 . 1 1 30 30 ILE H H 30 7.914 7.914 8.609 -0.695 25819 8229 1 20 . 1 1 31 31 PHE N N 31 125.209 125.209 123.427 1.782 25819 8230 1 20 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.228 0.142 25819 8231 1 20 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.808 -0.321 25819 8232 1 20 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.791 -1.638 25819 8233 1 20 . 1 1 31 31 PHE H H 31 8.316 8.316 8.290 0.026 25819 8234 1 20 . 1 1 32 32 THR N N 32 113.842 113.842 117.450 -3.608 25819 8235 1 20 . 1 1 32 32 THR HA H 32 4.404 4.404 4.212 0.192 25819 8236 1 20 . 1 1 32 32 THR CA C 32 64.157 64.157 65.689 -1.532 25819 8237 1 20 . 1 1 32 32 THR CB C 32 68.540 68.540 69.033 -0.493 25819 8238 1 20 . 1 1 32 32 THR H H 32 9.335 9.335 8.996 0.339 25819 8239 1 20 . 1 1 33 33 ASP N N 33 118.799 118.799 120.012 -1.213 25819 8240 1 20 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.653 -0.032 25819 8241 1 20 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.264 -1.301 25819 8242 1 20 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.185 -1.692 25819 8243 1 20 . 1 1 33 33 ASP H H 33 7.689 7.689 8.353 -0.664 25819 8244 1 20 . 1 1 34 34 ASN N N 34 112.993 112.993 114.116 -1.123 25819 8245 1 20 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.367 -0.019 25819 8246 1 20 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.729 -0.383 25819 8247 1 20 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.612 -0.122 25819 8248 1 20 . 1 1 34 34 ASN H H 34 8.370 8.370 8.052 0.318 25819 8249 1 20 . 1 1 35 35 SER N N 35 115.543 115.543 115.225 0.318 25819 8250 1 20 . 1 1 35 35 SER HA H 35 4.413 4.413 4.635 -0.222 25819 8251 1 20 . 1 1 35 35 SER CA C 35 57.882 57.882 57.588 0.294 25819 8252 1 20 . 1 1 35 35 SER CB C 35 63.770 63.770 64.043 -0.273 25819 8253 1 20 . 1 1 35 35 SER H H 35 7.990 7.990 8.012 -0.022 25819 8254 1 20 . 1 1 36 36 ASN N N 36 116.051 116.051 123.660 -7.609 25819 8255 1 20 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.746 -2.072 25819 8256 1 20 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.894 1.905 25819 8257 1 20 . 1 1 36 36 ASN H H 36 8.518 8.518 8.533 -0.015 25819 8258 1 20 . 1 1 37 37 SER N N 37 113.191 113.191 116.260 -3.069 25819 8259 1 20 . 1 1 37 37 SER HA H 37 4.715 4.715 4.763 -0.048 25819 8260 1 20 . 1 1 37 37 SER CA C 37 56.801 56.801 57.594 -0.793 25819 8261 1 20 . 1 1 37 37 SER CB C 37 64.872 64.872 66.099 -1.227 25819 8262 1 20 . 1 1 37 37 SER H H 37 8.667 8.667 8.832 -0.165 25819 8263 1 20 . 1 1 38 38 ASP N N 38 123.961 123.961 121.792 2.169 25819 8264 1 20 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.757 0.230 25819 8265 1 20 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.840 0.360 25819 8266 1 20 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.283 -1.354 25819 8267 1 20 . 1 1 38 38 ASP H H 38 8.848 8.848 8.576 0.272 25819 8268 1 20 . 1 1 39 39 ILE N N 39 121.217 121.217 120.070 1.147 25819 8269 1 20 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.762 1.109 25819 8270 1 20 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.162 -2.455 25819 8271 1 20 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.848 1.238 25819 8272 1 20 . 1 1 39 39 ILE H H 39 8.815 8.815 8.727 0.088 25819 8273 1 20 . 1 1 40 40 THR N N 40 122.868 122.868 116.444 6.424 25819 8274 1 20 . 1 1 40 40 THR HA H 40 4.288 4.288 4.048 0.240 25819 8275 1 20 . 1 1 40 40 THR CB C 40 68.527 68.527 69.077 -0.550 25819 8276 1 20 . 1 1 40 40 THR H H 40 8.679 8.679 8.227 0.452 25819 8277 1 20 . 1 1 41 41 ASP N N 41 114.082 114.082 118.658 -4.576 25819 8278 1 20 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.693 -0.995 25819 8279 1 20 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.167 -0.689 25819 8280 1 20 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.720 -2.002 25819 8281 1 20 . 1 1 41 41 ASP H H 41 8.539 8.539 8.506 0.033 25819 8282 1 20 . 1 1 42 42 GLN N N 42 117.086 117.086 117.263 -0.177 25819 8283 1 20 . 1 1 42 42 GLN HA H 42 4.151 4.151 3.994 0.157 25819 8284 1 20 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.640 -0.104 25819 8285 1 20 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.629 3.587 25819 8286 1 20 . 1 1 42 42 GLN H H 42 7.718 7.718 7.783 -0.065 25819 8287 1 20 . 1 1 43 43 VAL N N 43 109.916 109.916 120.668 -10.752 25819 8288 1 20 . 1 1 43 43 VAL HA H 43 4.089 4.089 3.895 0.194 25819 8289 1 20 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.251 -4.411 25819 8290 1 20 . 1 1 43 43 VAL CB C 43 31.273 31.273 31.514 -0.241 25819 8291 1 20 . 1 1 43 43 VAL H H 43 6.902 6.902 8.048 -1.146 25819 8292 1 20 . 1 1 44 44 THR N N 44 116.273 116.273 126.222 -9.949 25819 8293 1 20 . 1 1 44 44 THR HA H 44 4.315 4.315 4.083 0.232 25819 8294 1 20 . 1 1 44 44 THR CA C 44 61.651 61.651 61.716 -0.065 25819 8295 1 20 . 1 1 44 44 THR CB C 44 68.890 68.890 69.328 -0.438 25819 8296 1 20 . 1 1 44 44 THR H H 44 8.787 8.787 7.733 1.054 25819 8297 1 20 . 1 1 45 45 TRP N N 45 132.098 132.098 125.969 6.129 25819 8298 1 20 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.350 -0.105 25819 8299 1 20 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.242 1.145 25819 8300 1 20 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.078 -1.001 25819 8301 1 20 . 1 1 45 45 TRP H H 45 10.351 10.351 7.847 2.504 25819 8302 1 20 . 1 1 46 46 ASP N N 46 121.897 121.897 124.059 -2.162 25819 8303 1 20 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.072 -0.215 25819 8304 1 20 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.259 -0.462 25819 8305 1 20 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.740 0.335 25819 8306 1 20 . 1 1 46 46 ASP H H 46 9.471 9.471 8.856 0.615 25819 8307 1 20 . 1 1 47 47 SER N N 47 113.803 113.803 118.219 -4.416 25819 8308 1 20 . 1 1 47 47 SER HA H 47 5.043 5.043 5.145 -0.102 25819 8309 1 20 . 1 1 47 47 SER CA C 47 53.059 53.059 56.842 -3.783 25819 8310 1 20 . 1 1 47 47 SER CB C 47 64.880 64.880 65.602 -0.722 25819 8311 1 20 . 1 1 47 47 SER H H 47 8.502 8.502 8.441 0.061 25819 8312 1 20 . 1 1 48 48 SER N N 48 119.614 119.614 118.580 1.034 25819 8313 1 20 . 1 1 48 48 SER HA H 48 4.264 4.264 4.307 -0.043 25819 8314 1 20 . 1 1 48 48 SER CA C 48 59.404 59.404 59.871 -0.467 25819 8315 1 20 . 1 1 48 48 SER CB C 48 62.026 62.026 63.612 -1.586 25819 8316 1 20 . 1 1 48 48 SER H H 48 8.517 8.517 8.646 -0.129 25819 8317 1 20 . 1 1 49 49 ASN N N 49 118.259 118.259 115.395 2.864 25819 8318 1 20 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.541 0.357 25819 8319 1 20 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.359 -1.518 25819 8320 1 20 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.639 -0.919 25819 8321 1 20 . 1 1 49 49 ASN H H 49 7.816 7.816 7.777 0.039 25819 8322 1 20 . 1 1 50 50 THR N N 50 119.289 119.289 111.757 7.532 25819 8323 1 20 . 1 1 50 50 THR HA H 50 4.541 4.541 4.490 0.051 25819 8324 1 20 . 1 1 50 50 THR CA C 50 62.137 62.137 63.413 -1.276 25819 8325 1 20 . 1 1 50 50 THR CB C 50 67.100 67.100 69.994 -2.894 25819 8326 1 20 . 1 1 50 50 THR H H 50 9.049 9.049 8.433 0.616 25819 8327 1 20 . 1 1 51 51 ASP N N 51 118.825 118.825 120.220 -1.395 25819 8328 1 20 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.729 -0.143 25819 8329 1 20 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.685 0.005 25819 8330 1 20 . 1 1 51 51 ASP CB C 51 39.658 39.658 43.941 -4.283 25819 8331 1 20 . 1 1 51 51 ASP H H 51 8.251 8.251 7.915 0.336 25819 8332 1 20 . 1 1 52 52 ILE N N 52 118.411 118.411 120.174 -1.763 25819 8333 1 20 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.270 -0.345 25819 8334 1 20 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.456 0.225 25819 8335 1 20 . 1 1 52 52 ILE CB C 52 38.896 38.896 40.725 -1.829 25819 8336 1 20 . 1 1 52 52 ILE H H 52 7.169 7.169 7.691 -0.522 25819 8337 1 20 . 1 1 53 53 LEU N N 53 120.128 120.128 128.284 -8.156 25819 8338 1 20 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.928 0.093 25819 8339 1 20 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.045 -0.764 25819 8340 1 20 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.740 0.665 25819 8341 1 20 . 1 1 53 53 LEU H H 53 7.876 7.876 8.162 -0.286 25819 8342 1 20 . 1 1 54 54 SER N N 54 122.251 122.251 120.232 2.019 25819 8343 1 20 . 1 1 54 54 SER HA H 54 4.959 4.959 4.867 0.092 25819 8344 1 20 . 1 1 54 54 SER CA C 54 54.724 54.724 57.272 -2.548 25819 8345 1 20 . 1 1 54 54 SER CB C 54 64.417 64.417 66.377 -1.960 25819 8346 1 20 . 1 1 54 54 SER H H 54 8.650 8.650 8.670 -0.020 25819 8347 1 20 . 1 1 55 55 ILE N N 55 123.973 123.973 124.632 -0.659 25819 8348 1 20 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.447 0.454 25819 8349 1 20 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.021 -1.153 25819 8350 1 20 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.907 0.511 25819 8351 1 20 . 1 1 55 55 ILE H H 55 9.082 9.082 8.549 0.533 25819 8352 1 20 . 1 1 56 56 SER N N 56 119.539 119.539 125.315 -5.776 25819 8353 1 20 . 1 1 56 56 SER HA H 56 4.387 4.387 4.853 -0.466 25819 8354 1 20 . 1 1 56 56 SER CA C 56 56.626 56.626 57.569 -0.943 25819 8355 1 20 . 1 1 56 56 SER CB C 56 63.106 63.106 65.359 -2.252 25819 8356 1 20 . 1 1 56 56 SER H H 56 7.905 7.905 8.506 -0.601 25819 8357 1 20 . 1 1 57 57 ASN N N 57 124.209 124.209 122.669 1.540 25819 8358 1 20 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.928 0.091 25819 8359 1 20 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.819 -1.350 25819 8360 1 20 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.479 0.611 25819 8361 1 20 . 1 1 57 57 ASN H H 57 8.945 8.945 9.085 -0.140 25819 8362 1 20 . 1 1 58 58 ALA N N 58 124.300 124.300 121.542 2.758 25819 8363 1 20 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.517 -0.384 25819 8364 1 20 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.047 -0.760 25819 8365 1 20 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.470 -1.115 25819 8366 1 20 . 1 1 58 58 ALA H H 58 8.150 8.150 8.142 0.008 25819 8367 1 20 . 1 1 59 59 SER N N 59 113.299 113.299 115.160 -1.861 25819 8368 1 20 . 1 1 59 59 SER HA H 59 4.698 4.698 4.335 0.363 25819 8369 1 20 . 1 1 59 59 SER CA C 59 60.003 60.003 60.363 -0.360 25819 8370 1 20 . 1 1 59 59 SER CB C 59 62.574 62.574 63.561 -0.987 25819 8371 1 20 . 1 1 59 59 SER H H 59 8.377 8.377 8.775 -0.398 25819 8372 1 20 . 1 1 60 60 ASP N N 60 116.275 116.275 116.218 0.057 25819 8373 1 20 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.766 -0.104 25819 8374 1 20 . 1 1 60 60 ASP CA C 60 52.759 52.759 55.206 -2.447 25819 8375 1 20 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.448 -1.736 25819 8376 1 20 . 1 1 60 60 ASP H H 60 8.311 8.311 8.280 0.031 25819 8377 1 20 . 1 1 61 61 SER N N 61 112.649 112.649 111.815 0.834 25819 8378 1 20 . 1 1 61 61 SER HA H 61 4.630 4.630 4.446 0.184 25819 8379 1 20 . 1 1 61 61 SER CA C 61 56.180 56.180 58.559 -2.380 25819 8380 1 20 . 1 1 61 61 SER CB C 61 61.843 61.843 63.854 -2.011 25819 8381 1 20 . 1 1 61 61 SER H H 61 7.588 7.588 7.778 -0.190 25819 8382 1 20 . 1 1 62 62 HIS N N 62 119.790 119.790 122.224 -2.434 25819 8383 1 20 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.654 -0.607 25819 8384 1 20 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.190 0.729 25819 8385 1 20 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.122 -2.598 25819 8386 1 20 . 1 1 62 62 HIS H H 62 8.030 8.030 8.233 -0.203 25819 8387 1 20 . 1 1 63 63 GLY N N 63 113.301 113.301 107.397 5.904 25819 8388 1 20 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.148 -0.495 25819 8389 1 20 . 1 1 63 63 GLY H H 63 8.733 8.733 8.584 0.149 25819 8390 1 20 . 1 1 64 64 LEU N N 64 120.664 120.664 115.036 5.628 25819 8391 1 20 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.036 -0.650 25819 8392 1 20 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.066 1.827 25819 8393 1 20 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.148 -3.685 25819 8394 1 20 . 1 1 64 64 LEU H H 64 7.679 7.679 9.272 -1.593 25819 8395 1 20 . 1 1 65 65 ALA N N 65 108.347 108.347 119.976 -11.629 25819 8396 1 20 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.653 0.749 25819 8397 1 20 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.991 -1.724 25819 8398 1 20 . 1 1 65 65 ALA CB C 65 21.555 21.555 22.035 -0.480 25819 8399 1 20 . 1 1 65 65 ALA H H 65 9.874 9.874 8.561 1.313 25819 8400 1 20 . 1 1 66 66 SER N N 66 115.951 115.951 119.142 -3.191 25819 8401 1 20 . 1 1 66 66 SER HA H 66 4.909 4.909 5.324 -0.415 25819 8402 1 20 . 1 1 66 66 SER CA C 66 56.645 56.645 56.453 0.192 25819 8403 1 20 . 1 1 66 66 SER CB C 66 63.823 63.823 64.489 -0.666 25819 8404 1 20 . 1 1 66 66 SER H H 66 8.938 8.938 8.818 0.120 25819 8405 1 20 . 1 1 67 67 THR N N 67 113.595 113.595 124.008 -10.413 25819 8406 1 20 . 1 1 67 67 THR HA H 67 4.649 4.649 4.484 0.165 25819 8407 1 20 . 1 1 67 67 THR CA C 67 59.216 59.216 62.596 -3.380 25819 8408 1 20 . 1 1 67 67 THR CB C 67 69.006 69.006 70.167 -1.161 25819 8409 1 20 . 1 1 67 67 THR H H 67 8.258 8.258 8.357 -0.099 25819 8410 1 20 . 1 1 68 68 LEU N N 68 124.152 124.152 121.029 3.123 25819 8411 1 20 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.520 -0.164 25819 8412 1 20 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.652 0.460 25819 8413 1 20 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.813 0.102 25819 8414 1 20 . 1 1 68 68 LEU H H 68 8.616 8.616 8.055 0.561 25819 8415 1 20 . 1 1 69 69 ASN N N 69 115.821 115.821 114.838 0.983 25819 8416 1 20 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.809 -0.165 25819 8417 1 20 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.537 -0.081 25819 8418 1 20 . 1 1 69 69 ASN CB C 69 42.306 42.306 39.927 2.379 25819 8419 1 20 . 1 1 69 69 ASN H H 69 7.965 7.965 7.664 0.301 25819 8420 1 20 . 1 1 70 70 GLN N N 70 114.564 114.564 116.530 -1.966 25819 8421 1 20 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.652 -0.727 25819 8422 1 20 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.782 0.454 25819 8423 1 20 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.730 0.276 25819 8424 1 20 . 1 1 70 70 GLN H H 70 8.287 8.287 8.426 -0.139 25819 8425 1 20 . 1 1 71 71 GLY N N 71 108.006 108.006 109.864 -1.858 25819 8426 1 20 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.248 -0.562 25819 8427 1 20 . 1 1 71 71 GLY H H 71 8.520 8.520 7.802 0.718 25819 8428 1 20 . 1 1 72 72 ASN N N 72 117.784 117.784 119.202 -1.418 25819 8429 1 20 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.980 0.493 25819 8430 1 20 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.594 -0.903 25819 8431 1 20 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.611 -0.715 25819 8432 1 20 . 1 1 72 72 ASN H H 72 8.420 8.420 8.279 0.141 25819 8433 1 20 . 1 1 73 73 VAL N N 73 115.849 115.849 122.030 -6.181 25819 8434 1 20 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.253 0.278 25819 8435 1 20 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.330 -1.355 25819 8436 1 20 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.434 -0.255 25819 8437 1 20 . 1 1 73 73 VAL H H 73 8.990 8.990 8.948 0.042 25819 8438 1 20 . 1 1 74 74 LYS N N 74 123.196 123.196 126.582 -3.386 25819 8439 1 20 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.559 0.597 25819 8440 1 20 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.952 -1.071 25819 8441 1 20 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.516 0.081 25819 8442 1 20 . 1 1 74 74 LYS H H 74 8.716 8.716 8.642 0.074 25819 8443 1 20 . 1 1 75 75 VAL N N 75 129.522 129.522 128.944 0.578 25819 8444 1 20 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.612 -0.070 25819 8445 1 20 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.415 -0.599 25819 8446 1 20 . 1 1 75 75 VAL CB C 75 32.483 32.483 31.787 0.696 25819 8447 1 20 . 1 1 75 75 VAL H H 75 8.975 8.975 8.296 0.679 25819 8448 1 20 . 1 1 76 76 THR N N 76 120.548 120.548 120.299 0.249 25819 8449 1 20 . 1 1 76 76 THR HA H 76 5.066 5.066 4.918 0.148 25819 8450 1 20 . 1 1 76 76 THR CA C 76 59.783 59.783 60.754 -0.971 25819 8451 1 20 . 1 1 76 76 THR CB C 76 70.733 70.733 71.376 -0.643 25819 8452 1 20 . 1 1 76 76 THR H H 76 8.650 8.650 8.385 0.265 25819 8453 1 20 . 1 1 77 77 ALA N N 77 126.454 126.454 126.873 -0.419 25819 8454 1 20 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.559 -1.179 25819 8455 1 20 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.485 -2.055 25819 8456 1 20 . 1 1 77 77 ALA CB C 77 20.544 20.544 23.327 -2.783 25819 8457 1 20 . 1 1 77 77 ALA H H 77 8.674 8.674 8.369 0.305 25819 8458 1 20 . 1 1 78 78 SER N N 78 113.568 113.568 114.091 -0.523 25819 8459 1 20 . 1 1 78 78 SER HA H 78 5.376 5.376 4.893 0.483 25819 8460 1 20 . 1 1 78 78 SER CA C 78 56.077 56.077 58.422 -2.345 25819 8461 1 20 . 1 1 78 78 SER CB C 78 65.730 65.730 66.441 -0.711 25819 8462 1 20 . 1 1 78 78 SER H H 78 8.117 8.117 8.144 -0.027 25819 8463 1 20 . 1 1 79 79 ILE N N 79 121.071 121.071 124.016 -2.945 25819 8464 1 20 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.402 -0.261 25819 8465 1 20 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.306 0.818 25819 8466 1 20 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.331 -1.522 25819 8467 1 20 . 1 1 79 79 ILE H H 79 8.446 8.446 7.762 0.684 25819 8468 1 20 . 1 1 80 80 GLY N N 80 117.157 117.157 115.388 1.769 25819 8469 1 20 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.249 -0.243 25819 8470 1 20 . 1 1 80 80 GLY H H 80 8.899 8.899 8.592 0.307 25819 8471 1 20 . 1 1 81 81 GLY N N 81 110.715 110.715 111.112 -0.397 25819 8472 1 20 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.965 -0.587 25819 8473 1 20 . 1 1 81 81 GLY H H 81 8.742 8.742 8.111 0.631 25819 8474 1 20 . 1 1 82 82 ILE N N 82 124.113 124.113 121.258 2.855 25819 8475 1 20 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.208 -0.008 25819 8476 1 20 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.665 -0.632 25819 8477 1 20 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.066 -1.289 25819 8478 1 20 . 1 1 82 82 ILE H H 82 8.188 8.188 8.015 0.173 25819 8479 1 20 . 1 1 83 83 GLN N N 83 122.455 122.455 121.953 0.502 25819 8480 1 20 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.543 0.852 25819 8481 1 20 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.303 -1.283 25819 8482 1 20 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.488 0.027 25819 8483 1 20 . 1 1 83 83 GLN H H 83 8.423 8.423 8.242 0.181 25819 8484 1 20 . 1 1 84 84 GLY N N 84 111.437 111.437 107.570 3.867 25819 8485 1 20 . 1 1 84 84 GLY H H 84 8.931 8.931 8.271 0.660 25819 8486 1 20 . 1 1 85 85 SER N N 85 113.878 113.878 115.031 -1.153 25819 8487 1 20 . 1 1 85 85 SER HA H 85 5.841 5.841 5.392 0.449 25819 8488 1 20 . 1 1 85 85 SER CA C 85 56.264 56.264 57.203 -0.939 25819 8489 1 20 . 1 1 85 85 SER CB C 85 66.946 66.946 66.429 0.517 25819 8490 1 20 . 1 1 85 85 SER H H 85 8.710 8.710 8.451 0.259 25819 8491 1 20 . 1 1 86 86 THR N N 86 115.389 115.389 115.434 -0.045 25819 8492 1 20 . 1 1 86 86 THR HA H 86 4.772 4.772 4.633 0.139 25819 8493 1 20 . 1 1 86 86 THR CA C 86 60.313 60.313 61.432 -1.119 25819 8494 1 20 . 1 1 86 86 THR CB C 86 69.852 69.852 71.599 -1.747 25819 8495 1 20 . 1 1 86 86 THR H H 86 8.854 8.854 9.025 -0.171 25819 8496 1 20 . 1 1 87 87 ASP N N 87 124.623 124.623 122.178 2.445 25819 8497 1 20 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.929 0.507 25819 8498 1 20 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.374 0.422 25819 8499 1 20 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.905 -0.895 25819 8500 1 20 . 1 1 87 87 ASP H H 87 7.953 7.953 8.437 -0.484 25819 8501 1 20 . 1 1 88 88 PHE N N 88 123.574 123.574 124.544 -0.970 25819 8502 1 20 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.586 -0.655 25819 8503 1 20 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.463 0.505 25819 8504 1 20 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.984 -1.100 25819 8505 1 20 . 1 1 88 88 PHE H H 88 9.094 9.094 8.586 0.508 25819 8506 1 20 . 1 1 89 89 LYS N N 89 126.965 126.965 124.207 2.758 25819 8507 1 20 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.790 0.248 25819 8508 1 20 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.373 -1.484 25819 8509 1 20 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.737 -0.068 25819 8510 1 20 . 1 1 89 89 LYS H H 89 7.269 7.269 8.489 -1.220 25819 8511 1 20 . 1 1 90 90 VAL N N 90 126.148 126.148 129.462 -3.314 25819 8512 1 20 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.088 -0.077 25819 8513 1 20 . 1 1 90 90 VAL CA C 90 59.547 59.547 61.277 -1.730 25819 8514 1 20 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.529 -1.581 25819 8515 1 20 . 1 1 90 90 VAL H H 90 9.086 9.086 8.656 0.430 25819 8516 1 20 . 1 1 91 91 THR N N 91 120.505 120.505 121.869 -1.364 25819 8517 1 20 . 1 1 91 91 THR HA H 91 4.568 4.568 4.632 -0.064 25819 8518 1 20 . 1 1 91 91 THR CA C 91 59.348 59.348 60.355 -1.007 25819 8519 1 20 . 1 1 91 91 THR CB C 91 68.970 68.970 71.004 -2.034 25819 8520 1 20 . 1 1 91 91 THR H H 91 8.757 8.757 8.654 0.103 25819 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 87 3.769 0.527 3.754 25819 2 1 1 "Average Difference" HA 94 0.418 0.046 0.418 25819 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25819 4 1 1 "Average Difference" CA 87 1.410 0.942 1.055 25819 5 1 1 "Average Difference" CB 83 1.707 0.877 1.473 25819 6 1 1 "Average Difference" HN 88 0.551 -0.144 0.535 25819 7 1 2 "Average Difference" N 87 3.923 0.781 3.866 25819 8 1 2 "Average Difference" HA 94 0.443 0.065 0.441 25819 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25819 10 1 2 "Average Difference" CA 87 1.382 0.929 1.029 25819 11 1 2 "Average Difference" CB 83 1.669 0.804 1.472 25819 12 1 2 "Average Difference" HN 88 0.549 -0.132 0.536 25819 13 1 3 "Average Difference" N 87 3.852 0.512 3.840 25819 14 1 3 "Average Difference" HA 94 0.442 0.049 0.441 25819 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25819 16 1 3 "Average Difference" CA 87 1.429 0.858 1.149 25819 17 1 3 "Average Difference" CB 83 1.683 0.889 1.438 25819 18 1 3 "Average Difference" HN 88 0.596 -0.147 0.581 25819 19 1 4 "Average Difference" N 87 3.789 0.651 3.755 25819 20 1 4 "Average Difference" HA 94 0.446 0.046 0.446 25819 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25819 22 1 4 "Average Difference" CA 87 1.382 0.820 1.119 25819 23 1 4 "Average Difference" CB 83 1.693 0.808 1.497 25819 24 1 4 "Average Difference" HN 88 0.575 -0.118 0.566 25819 25 1 5 "Average Difference" N 87 3.799 0.737 3.748 25819 26 1 5 "Average Difference" HA 94 0.437 0.046 0.437 25819 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25819 28 1 5 "Average Difference" CA 87 1.441 0.897 1.135 25819 29 1 5 "Average Difference" CB 83 1.718 0.906 1.468 25819 30 1 5 "Average Difference" HN 88 0.565 -0.128 0.554 25819 31 1 6 "Average Difference" N 87 3.941 0.758 3.890 25819 32 1 6 "Average Difference" HA 94 0.452 0.062 0.450 25819 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25819 34 1 6 "Average Difference" CA 87 1.370 0.886 1.051 25819 35 1 6 "Average Difference" CB 83 1.615 0.760 1.433 25819 36 1 6 "Average Difference" HN 88 0.568 -0.104 0.562 25819 37 1 7 "Average Difference" N 87 3.705 0.819 3.635 25819 38 1 7 "Average Difference" HA 94 0.461 0.041 0.461 25819 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25819 40 1 7 "Average Difference" CA 87 1.409 0.845 1.134 25819 41 1 7 "Average Difference" CB 83 1.643 0.737 1.477 25819 42 1 7 "Average Difference" HN 88 0.570 -0.115 0.561 25819 43 1 8 "Average Difference" N 87 3.705 0.652 3.668 25819 44 1 8 "Average Difference" HA 94 0.448 0.047 0.448 25819 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25819 46 1 8 "Average Difference" CA 87 1.427 0.798 1.190 25819 47 1 8 "Average Difference" CB 83 1.592 0.828 1.369 25819 48 1 8 "Average Difference" HN 88 0.550 -0.165 0.528 25819 49 1 9 "Average Difference" N 87 3.796 0.415 3.795 25819 50 1 9 "Average Difference" HA 94 0.452 0.058 0.451 25819 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25819 52 1 9 "Average Difference" CA 87 1.352 0.829 1.074 25819 53 1 9 "Average Difference" CB 83 1.740 0.866 1.519 25819 54 1 9 "Average Difference" HN 88 0.589 -0.156 0.571 25819 55 1 10 "Average Difference" N 87 3.652 0.418 3.649 25819 56 1 10 "Average Difference" HA 94 0.487 0.038 0.488 25819 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25819 58 1 10 "Average Difference" CA 87 1.349 0.829 1.071 25819 59 1 10 "Average Difference" CB 83 1.666 0.870 1.429 25819 60 1 10 "Average Difference" HN 88 0.626 -0.164 0.608 25819 61 1 11 "Average Difference" N 87 4.204 0.848 4.141 25819 62 1 11 "Average Difference" HA 94 0.452 0.051 0.451 25819 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25819 64 1 11 "Average Difference" CA 87 1.356 0.847 1.065 25819 65 1 11 "Average Difference" CB 83 1.685 0.719 1.533 25819 66 1 11 "Average Difference" HN 88 0.589 -0.154 0.572 25819 67 1 12 "Average Difference" N 87 3.739 0.547 3.720 25819 68 1 12 "Average Difference" HA 94 0.495 0.058 0.495 25819 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25819 70 1 12 "Average Difference" CA 87 1.401 0.861 1.111 25819 71 1 12 "Average Difference" CB 83 1.639 0.817 1.429 25819 72 1 12 "Average Difference" HN 88 0.591 -0.156 0.574 25819 73 1 13 "Average Difference" N 87 3.833 1.001 3.721 25819 74 1 13 "Average Difference" HA 94 0.485 0.039 0.486 25819 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25819 76 1 13 "Average Difference" CA 87 1.483 0.960 1.137 25819 77 1 13 "Average Difference" CB 83 1.733 0.932 1.470 25819 78 1 13 "Average Difference" HN 88 0.612 -0.120 0.604 25819 79 1 14 "Average Difference" N 87 3.797 0.673 3.759 25819 80 1 14 "Average Difference" HA 94 0.451 0.054 0.450 25819 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25819 82 1 14 "Average Difference" CA 87 1.336 0.790 1.083 25819 83 1 14 "Average Difference" CB 83 1.743 0.758 1.580 25819 84 1 14 "Average Difference" HN 88 0.571 -0.140 0.557 25819 85 1 15 "Average Difference" N 87 3.679 0.406 3.677 25819 86 1 15 "Average Difference" HA 94 0.459 0.022 0.461 25819 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25819 88 1 15 "Average Difference" CA 87 1.488 0.878 1.209 25819 89 1 15 "Average Difference" CB 83 1.661 0.783 1.474 25819 90 1 15 "Average Difference" HN 88 0.578 -0.154 0.561 25819 91 1 16 "Average Difference" N 87 4.049 0.457 4.046 25819 92 1 16 "Average Difference" HA 94 0.449 0.025 0.450 25819 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25819 94 1 16 "Average Difference" CA 87 1.440 0.882 1.145 25819 95 1 16 "Average Difference" CB 83 1.820 0.876 1.605 25819 96 1 16 "Average Difference" HN 88 0.616 -0.184 0.591 25819 97 1 17 "Average Difference" N 87 3.915 0.644 3.884 25819 98 1 17 "Average Difference" HA 94 0.487 0.072 0.485 25819 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25819 100 1 17 "Average Difference" CA 87 1.372 0.826 1.102 25819 101 1 17 "Average Difference" CB 83 1.609 0.851 1.374 25819 102 1 17 "Average Difference" HN 88 0.575 -0.138 0.561 25819 103 1 18 "Average Difference" N 87 3.693 0.409 3.692 25819 104 1 18 "Average Difference" HA 94 0.471 0.080 0.467 25819 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25819 106 1 18 "Average Difference" CA 87 1.342 0.758 1.114 25819 107 1 18 "Average Difference" CB 83 1.775 0.972 1.494 25819 108 1 18 "Average Difference" HN 88 0.590 -0.130 0.579 25819 109 1 19 "Average Difference" N 87 3.813 0.655 3.778 25819 110 1 19 "Average Difference" HA 94 0.437 0.028 0.438 25819 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25819 112 1 19 "Average Difference" CA 87 1.463 0.917 1.146 25819 113 1 19 "Average Difference" CB 83 1.739 0.798 1.555 25819 114 1 19 "Average Difference" HN 88 0.645 -0.186 0.622 25819 115 1 20 "Average Difference" N 87 3.770 0.471 3.762 25819 116 1 20 "Average Difference" HA 94 0.460 0.059 0.458 25819 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25819 118 1 20 "Average Difference" CA 87 1.439 0.869 1.153 25819 119 1 20 "Average Difference" CB 83 1.641 0.876 1.396 25819 120 1 20 "Average Difference" HN 88 0.587 -0.127 0.576 25819 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 25819 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.825 -0.548 25819 2 1 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.812 -1.591 25819 3 1 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.928 -1.512 25819 4 1 . 1 1 3 3 ALA N N 3 123.804 123.804 123.306 0.497 25819 5 1 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.457 -0.251 25819 6 1 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.605 -0.210 25819 7 1 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.373 -1.533 25819 8 1 . 1 1 3 3 ALA H H 3 8.647 8.647 8.129 0.518 25819 9 1 . 1 1 4 4 ALA N N 4 124.058 124.058 124.450 -0.392 25819 10 1 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.803 -0.094 25819 11 1 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.867 -0.845 25819 12 1 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.979 -1.082 25819 13 1 . 1 1 4 4 ALA H H 4 8.239 8.239 8.432 -0.193 25819 14 1 . 1 1 5 5 LEU N N 5 124.018 124.018 121.907 2.111 25819 15 1 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.051 -0.679 25819 16 1 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.424 -1.416 25819 17 1 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.929 -0.686 25819 18 1 . 1 1 5 5 LEU H H 5 8.560 8.560 8.647 -0.087 25819 19 1 . 1 1 6 6 VAL N N 6 123.357 123.357 119.495 3.862 25819 20 1 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.223 -0.126 25819 21 1 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.640 -0.300 25819 22 1 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.979 -1.031 25819 23 1 . 1 1 6 6 VAL H H 6 9.119 9.119 8.224 0.895 25819 24 1 . 1 1 7 7 SER N N 7 112.137 112.137 113.742 -1.605 25819 25 1 . 1 1 7 7 SER HA H 7 4.445 4.445 4.793 -0.348 25819 26 1 . 1 1 7 7 SER CA C 7 56.349 56.349 57.678 -1.329 25819 27 1 . 1 1 7 7 SER CB C 7 64.361 64.361 66.197 -1.836 25819 28 1 . 1 1 7 7 SER H H 7 7.680 7.680 7.664 0.016 25819 29 1 . 1 1 8 8 ILE N N 8 118.674 118.674 116.472 2.202 25819 30 1 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.148 -0.475 25819 31 1 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.501 -0.355 25819 32 1 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.464 -0.790 25819 33 1 . 1 1 8 8 ILE H H 8 8.354 8.354 8.170 0.184 25819 34 1 . 1 1 9 9 SER N N 9 121.319 121.319 120.430 0.889 25819 35 1 . 1 1 9 9 SER HA H 9 4.863 4.863 4.888 -0.025 25819 36 1 . 1 1 9 9 SER CA C 9 55.381 55.381 57.458 -2.077 25819 37 1 . 1 1 9 9 SER CB C 9 64.243 64.243 63.479 0.765 25819 38 1 . 1 1 9 9 SER H H 9 9.028 9.028 8.652 0.376 25819 39 1 . 1 1 10 10 VAL N N 10 127.509 127.509 121.916 5.593 25819 40 1 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.894 0.156 25819 41 1 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.924 0.988 25819 42 1 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.251 -0.864 25819 43 1 . 1 1 10 10 VAL H H 10 8.911 8.911 8.505 0.406 25819 44 1 . 1 1 11 11 SER N N 11 121.860 121.860 121.551 0.309 25819 45 1 . 1 1 11 11 SER CB C 11 64.373 64.373 62.929 1.444 25819 46 1 . 1 1 11 11 SER H H 11 9.206 9.206 8.602 0.604 25819 47 1 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.502 0.202 25819 48 1 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.740 -1.841 25819 49 1 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.384 1.705 25819 50 1 . 1 1 13 13 THR N N 13 116.137 116.137 117.871 -1.734 25819 51 1 . 1 1 13 13 THR HA H 13 4.770 4.770 4.444 0.326 25819 52 1 . 1 1 13 13 THR CA C 13 60.153 60.153 61.506 -1.353 25819 53 1 . 1 1 13 13 THR CB C 13 69.426 69.426 70.278 -0.852 25819 54 1 . 1 1 13 13 THR H H 13 8.679 8.679 8.368 0.311 25819 55 1 . 1 1 14 14 ASN N N 14 124.457 124.457 125.146 -0.689 25819 56 1 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.971 -0.276 25819 57 1 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.204 0.924 25819 58 1 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.054 -1.461 25819 59 1 . 1 1 14 14 ASN H H 14 8.710 8.710 8.758 -0.048 25819 60 1 . 1 1 15 15 SER N N 15 113.673 113.673 116.234 -2.561 25819 61 1 . 1 1 15 15 SER HA H 15 4.648 4.648 4.632 0.016 25819 62 1 . 1 1 15 15 SER CA C 15 55.644 55.644 57.239 -1.595 25819 63 1 . 1 1 15 15 SER CB C 15 63.953 63.953 64.901 -0.948 25819 64 1 . 1 1 15 15 SER H H 15 9.127 9.127 7.629 1.498 25819 65 1 . 1 1 16 16 THR N N 16 113.579 113.579 115.203 -1.624 25819 66 1 . 1 1 16 16 THR HA H 16 4.976 4.976 4.861 0.115 25819 67 1 . 1 1 16 16 THR CA C 16 58.445 58.445 60.559 -2.114 25819 68 1 . 1 1 16 16 THR CB C 16 70.534 70.534 70.178 0.356 25819 69 1 . 1 1 16 16 THR H H 16 7.962 7.962 8.190 -0.227 25819 70 1 . 1 1 17 17 VAL N N 17 121.479 121.479 122.571 -1.092 25819 71 1 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.548 -0.228 25819 72 1 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.893 0.044 25819 73 1 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.652 -0.248 25819 74 1 . 1 1 17 17 VAL H H 17 7.969 7.969 8.808 -0.839 25819 75 1 . 1 1 18 18 ALA N N 18 126.014 126.014 126.396 -0.382 25819 76 1 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.411 -0.236 25819 77 1 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.908 -0.945 25819 78 1 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.517 -0.595 25819 79 1 . 1 1 18 18 ALA H H 18 7.756 7.756 8.283 -0.527 25819 80 1 . 1 1 19 19 LYS N N 19 119.741 119.741 122.086 -2.345 25819 81 1 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.041 -0.554 25819 82 1 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.363 0.409 25819 83 1 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.377 -0.775 25819 84 1 . 1 1 19 19 LYS H H 19 7.892 7.892 8.195 -0.303 25819 85 1 . 1 1 20 20 GLY N N 20 116.709 116.709 113.218 3.490 25819 86 1 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.369 -1.606 25819 87 1 . 1 1 20 20 GLY H H 20 8.615 8.615 8.641 -0.026 25819 88 1 . 1 1 21 21 LEU N N 21 123.004 123.004 122.914 0.089 25819 89 1 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.647 -0.059 25819 90 1 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.263 -0.898 25819 91 1 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.010 -5.048 25819 92 1 . 1 1 21 21 LEU H H 21 8.013 8.013 7.898 0.115 25819 93 1 . 1 1 22 22 GLN N N 22 117.503 117.503 118.771 -1.268 25819 94 1 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.163 -0.035 25819 95 1 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.284 -0.615 25819 96 1 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.850 -0.936 25819 97 1 . 1 1 22 22 GLN H H 22 8.223 8.223 8.286 -0.063 25819 98 1 . 1 1 23 23 GLU N N 23 118.126 118.126 121.787 -3.661 25819 99 1 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.618 -0.055 25819 100 1 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.156 -2.289 25819 101 1 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.404 -0.530 25819 102 1 . 1 1 23 23 GLU H H 23 8.188 8.188 8.641 -0.453 25819 103 1 . 1 1 24 24 ASN N N 24 125.841 125.841 122.372 3.469 25819 104 1 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.048 -0.270 25819 105 1 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.295 -0.784 25819 106 1 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.762 -0.016 25819 107 1 . 1 1 24 24 ASN H H 24 9.390 9.390 8.576 0.814 25819 108 1 . 1 1 25 25 PHE N N 25 122.824 122.824 122.794 0.030 25819 109 1 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.721 -0.070 25819 110 1 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.875 0.248 25819 111 1 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.664 -3.605 25819 112 1 . 1 1 25 25 PHE H H 25 8.061 8.061 8.800 -0.739 25819 113 1 . 1 1 26 26 LYS N N 26 119.114 119.114 122.164 -3.050 25819 114 1 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.571 0.673 25819 115 1 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.419 -2.443 25819 116 1 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.023 -1.362 25819 117 1 . 1 1 26 26 LYS H H 26 9.255 9.255 8.371 0.884 25819 118 1 . 1 1 27 27 ALA N N 27 125.583 125.583 127.194 -1.611 25819 119 1 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.426 -0.164 25819 120 1 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.919 -2.102 25819 121 1 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.170 -1.010 25819 122 1 . 1 1 27 27 ALA H H 27 9.120 9.120 8.504 0.616 25819 123 1 . 1 1 28 28 THR HA H 28 4.837 4.837 4.698 0.139 25819 124 1 . 1 1 28 28 THR CA C 28 60.566 60.566 61.219 -0.652 25819 125 1 . 1 1 28 28 THR CB C 28 69.478 69.478 70.480 -1.002 25819 126 1 . 1 1 28 28 THR H H 28 9.062 9.062 8.392 0.670 25819 127 1 . 1 1 29 29 GLY N N 29 115.789 115.789 113.773 2.016 25819 128 1 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.893 0.423 25819 129 1 . 1 1 29 29 GLY H H 29 9.662 9.662 9.085 0.577 25819 130 1 . 1 1 30 30 ILE N N 30 123.084 123.084 122.906 0.178 25819 131 1 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.454 0.324 25819 132 1 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.289 0.099 25819 133 1 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.928 -4.045 25819 134 1 . 1 1 30 30 ILE H H 30 7.914 7.914 8.608 -0.694 25819 135 1 . 1 1 31 31 PHE N N 31 125.209 125.209 122.271 2.938 25819 136 1 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.142 0.228 25819 137 1 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.455 0.032 25819 138 1 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.449 -1.296 25819 139 1 . 1 1 31 31 PHE H H 31 8.316 8.316 8.249 0.067 25819 140 1 . 1 1 32 32 THR N N 32 113.842 113.842 116.628 -2.786 25819 141 1 . 1 1 32 32 THR HA H 32 4.404 4.404 4.181 0.223 25819 142 1 . 1 1 32 32 THR CA C 32 64.157 64.157 65.183 -1.025 25819 143 1 . 1 1 32 32 THR CB C 32 68.540 68.540 68.914 -0.374 25819 144 1 . 1 1 32 32 THR H H 32 9.335 9.335 8.871 0.464 25819 145 1 . 1 1 33 33 ASP N N 33 118.799 118.799 119.759 -0.960 25819 146 1 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.692 -0.071 25819 147 1 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.468 -1.505 25819 148 1 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.262 -1.768 25819 149 1 . 1 1 33 33 ASP H H 33 7.689 7.689 8.357 -0.668 25819 150 1 . 1 1 34 34 ASN N N 34 112.993 112.993 114.363 -1.370 25819 151 1 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.389 -0.041 25819 152 1 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.580 -0.234 25819 153 1 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.795 -0.305 25819 154 1 . 1 1 34 34 ASN H H 34 8.370 8.370 7.973 0.397 25819 155 1 . 1 1 35 35 SER N N 35 115.543 115.543 115.373 0.170 25819 156 1 . 1 1 35 35 SER HA H 35 4.413 4.413 4.595 -0.182 25819 157 1 . 1 1 35 35 SER CA C 35 57.882 57.882 57.691 0.191 25819 158 1 . 1 1 35 35 SER CB C 35 63.770 63.770 64.117 -0.346 25819 159 1 . 1 1 35 35 SER H H 35 7.990 7.990 8.125 -0.135 25819 160 1 . 1 1 36 36 ASN N N 36 116.051 116.051 124.762 -8.711 25819 161 1 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.113 -2.439 25819 162 1 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.112 1.687 25819 163 1 . 1 1 36 36 ASN H H 36 8.518 8.518 8.679 -0.161 25819 164 1 . 1 1 37 37 SER N N 37 113.191 113.191 117.427 -4.236 25819 165 1 . 1 1 37 37 SER HA H 37 4.715 4.715 4.785 -0.070 25819 166 1 . 1 1 37 37 SER CA C 37 56.801 56.801 57.249 -0.448 25819 167 1 . 1 1 37 37 SER CB C 37 64.872 64.872 66.436 -1.564 25819 168 1 . 1 1 37 37 SER H H 37 8.667 8.667 8.998 -0.331 25819 169 1 . 1 1 38 38 ASP N N 38 123.961 123.961 121.854 2.107 25819 170 1 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.750 0.237 25819 171 1 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.346 0.855 25819 172 1 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.125 -1.196 25819 173 1 . 1 1 38 38 ASP H H 38 8.848 8.848 8.541 0.307 25819 174 1 . 1 1 39 39 ILE N N 39 121.217 121.217 116.717 4.500 25819 175 1 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.783 1.088 25819 176 1 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.988 -2.281 25819 177 1 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.288 1.798 25819 178 1 . 1 1 39 39 ILE H H 39 8.815 8.815 8.402 0.413 25819 179 1 . 1 1 40 40 THR N N 40 122.868 122.868 115.417 7.451 25819 180 1 . 1 1 40 40 THR HA H 40 4.288 4.288 4.102 0.186 25819 181 1 . 1 1 40 40 THR CB C 40 68.527 68.527 69.026 -0.499 25819 182 1 . 1 1 40 40 THR H H 40 8.679 8.679 8.290 0.389 25819 183 1 . 1 1 41 41 ASP N N 41 114.082 114.082 119.102 -5.020 25819 184 1 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.806 -1.108 25819 185 1 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.089 -0.611 25819 186 1 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.688 -1.970 25819 187 1 . 1 1 41 41 ASP H H 41 8.539 8.539 8.463 0.075 25819 188 1 . 1 1 42 42 GLN N N 42 117.086 117.086 116.963 0.123 25819 189 1 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.052 0.099 25819 190 1 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.993 -0.457 25819 191 1 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.069 3.147 25819 192 1 . 1 1 42 42 GLN H H 42 7.718 7.718 7.415 0.303 25819 193 1 . 1 1 43 43 VAL N N 43 109.916 109.916 122.055 -12.139 25819 194 1 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.001 0.088 25819 195 1 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.198 -4.358 25819 196 1 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.146 -0.873 25819 197 1 . 1 1 43 43 VAL H H 43 6.902 6.902 8.250 -1.348 25819 198 1 . 1 1 44 44 THR N N 44 116.273 116.273 125.620 -9.347 25819 199 1 . 1 1 44 44 THR HA H 44 4.315 4.315 4.476 -0.161 25819 200 1 . 1 1 44 44 THR CA C 44 61.651 61.651 62.384 -0.733 25819 201 1 . 1 1 44 44 THR CB C 44 68.890 68.890 69.158 -0.268 25819 202 1 . 1 1 44 44 THR H H 44 8.787 8.787 8.247 0.540 25819 203 1 . 1 1 45 45 TRP N N 45 132.098 132.098 126.119 5.979 25819 204 1 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.049 0.196 25819 205 1 . 1 1 45 45 TRP CA C 45 55.387 55.387 55.276 0.111 25819 206 1 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.980 -0.903 25819 207 1 . 1 1 45 45 TRP H H 45 10.351 10.351 8.246 2.105 25819 208 1 . 1 1 46 46 ASP N N 46 121.897 121.897 121.974 -0.077 25819 209 1 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.938 -0.081 25819 210 1 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.580 -0.783 25819 211 1 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.954 0.121 25819 212 1 . 1 1 46 46 ASP H H 46 9.471 9.471 8.452 1.019 25819 213 1 . 1 1 47 47 SER N N 47 113.803 113.803 117.565 -3.762 25819 214 1 . 1 1 47 47 SER HA H 47 5.043 5.043 5.273 -0.230 25819 215 1 . 1 1 47 47 SER CA C 47 53.059 53.059 56.671 -3.612 25819 216 1 . 1 1 47 47 SER CB C 47 64.880 64.880 65.455 -0.575 25819 217 1 . 1 1 47 47 SER H H 47 8.502 8.502 8.465 0.037 25819 218 1 . 1 1 48 48 SER N N 48 119.614 119.614 119.566 0.048 25819 219 1 . 1 1 48 48 SER HA H 48 4.264 4.264 4.315 -0.051 25819 220 1 . 1 1 48 48 SER CA C 48 59.404 59.404 59.957 -0.553 25819 221 1 . 1 1 48 48 SER CB C 48 62.026 62.026 63.572 -1.546 25819 222 1 . 1 1 48 48 SER H H 48 8.517 8.517 8.635 -0.118 25819 223 1 . 1 1 49 49 ASN N N 49 118.259 118.259 116.416 1.843 25819 224 1 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.553 0.345 25819 225 1 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.161 -1.320 25819 226 1 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.652 -0.932 25819 227 1 . 1 1 49 49 ASN H H 49 7.816 7.816 8.023 -0.207 25819 228 1 . 1 1 50 50 THR N N 50 119.289 119.289 114.756 4.533 25819 229 1 . 1 1 50 50 THR HA H 50 4.541 4.541 4.475 0.066 25819 230 1 . 1 1 50 50 THR CA C 50 62.137 62.137 63.187 -1.050 25819 231 1 . 1 1 50 50 THR CB C 50 67.100 67.100 69.745 -2.645 25819 232 1 . 1 1 50 50 THR H H 50 9.049 9.049 8.338 0.711 25819 233 1 . 1 1 51 51 ASP N N 51 118.825 118.825 119.764 -0.939 25819 234 1 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.760 -0.174 25819 235 1 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.620 0.070 25819 236 1 . 1 1 51 51 ASP CB C 51 39.658 39.658 43.073 -3.415 25819 237 1 . 1 1 51 51 ASP H H 51 8.251 8.251 8.184 0.067 25819 238 1 . 1 1 52 52 ILE N N 52 118.411 118.411 119.720 -1.309 25819 239 1 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.278 -0.353 25819 240 1 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.393 0.288 25819 241 1 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.235 -0.339 25819 242 1 . 1 1 52 52 ILE H H 52 7.169 7.169 7.682 -0.513 25819 243 1 . 1 1 53 53 LEU N N 53 120.128 120.128 124.667 -4.539 25819 244 1 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.001 0.020 25819 245 1 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.749 -0.468 25819 246 1 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.188 1.217 25819 247 1 . 1 1 53 53 LEU H H 53 7.876 7.876 7.995 -0.119 25819 248 1 . 1 1 54 54 SER N N 54 122.251 122.251 117.113 5.138 25819 249 1 . 1 1 54 54 SER HA H 54 4.959 4.959 4.841 0.118 25819 250 1 . 1 1 54 54 SER CA C 54 54.724 54.724 57.249 -2.525 25819 251 1 . 1 1 54 54 SER CB C 54 64.417 64.417 65.933 -1.516 25819 252 1 . 1 1 54 54 SER H H 54 8.650 8.650 8.634 0.016 25819 253 1 . 1 1 55 55 ILE N N 55 123.973 123.973 123.724 0.249 25819 254 1 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.399 0.502 25819 255 1 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.782 -0.914 25819 256 1 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.077 1.341 25819 257 1 . 1 1 55 55 ILE H H 55 9.082 9.082 8.431 0.651 25819 258 1 . 1 1 56 56 SER N N 56 119.539 119.539 122.880 -3.341 25819 259 1 . 1 1 56 56 SER HA H 56 4.387 4.387 4.434 -0.047 25819 260 1 . 1 1 56 56 SER CA C 56 56.626 56.626 57.254 -0.628 25819 261 1 . 1 1 56 56 SER CB C 56 63.106 63.106 64.869 -1.763 25819 262 1 . 1 1 56 56 SER H H 56 7.905 7.905 8.366 -0.461 25819 263 1 . 1 1 57 57 ASN N N 57 124.209 124.209 123.792 0.417 25819 264 1 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.943 0.076 25819 265 1 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.514 -1.045 25819 266 1 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.635 0.455 25819 267 1 . 1 1 57 57 ASN H H 57 8.945 8.945 8.714 0.231 25819 268 1 . 1 1 58 58 ALA N N 58 124.300 124.300 122.445 1.855 25819 269 1 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.488 -0.355 25819 270 1 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.473 -1.186 25819 271 1 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.087 -0.733 25819 272 1 . 1 1 58 58 ALA H H 58 8.150 8.150 8.046 0.104 25819 273 1 . 1 1 59 59 SER N N 59 113.299 113.299 114.526 -1.227 25819 274 1 . 1 1 59 59 SER HA H 59 4.698 4.698 4.225 0.473 25819 275 1 . 1 1 59 59 SER CA C 59 60.003 60.003 60.650 -0.647 25819 276 1 . 1 1 59 59 SER CB C 59 62.574 62.574 63.364 -0.790 25819 277 1 . 1 1 59 59 SER H H 59 8.377 8.377 8.463 -0.085 25819 278 1 . 1 1 60 60 ASP N N 60 116.275 116.275 116.221 0.054 25819 279 1 . 1 1 60 60 ASP HA H 60 4.662 4.662 4.714 -0.052 25819 280 1 . 1 1 60 60 ASP CA C 60 52.759 52.759 54.884 -2.125 25819 281 1 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.670 -1.958 25819 282 1 . 1 1 60 60 ASP H H 60 8.311 8.311 8.116 0.195 25819 283 1 . 1 1 61 61 SER N N 61 112.649 112.649 112.932 -0.283 25819 284 1 . 1 1 61 61 SER HA H 61 4.630 4.630 4.383 0.247 25819 285 1 . 1 1 61 61 SER CA C 61 56.180 56.180 58.834 -2.654 25819 286 1 . 1 1 61 61 SER CB C 61 61.843 61.843 63.198 -1.355 25819 287 1 . 1 1 61 61 SER H H 61 7.588 7.588 7.929 -0.341 25819 288 1 . 1 1 62 62 HIS N N 62 119.790 119.790 122.151 -2.361 25819 289 1 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.595 -0.548 25819 290 1 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.373 0.546 25819 291 1 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.221 -2.698 25819 292 1 . 1 1 62 62 HIS H H 62 8.030 8.030 8.021 0.009 25819 293 1 . 1 1 63 63 GLY N N 63 113.301 113.301 108.127 5.174 25819 294 1 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.455 -0.802 25819 295 1 . 1 1 63 63 GLY H H 63 8.733 8.733 8.348 0.385 25819 296 1 . 1 1 64 64 LEU N N 64 120.664 120.664 121.945 -1.281 25819 297 1 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.129 -0.743 25819 298 1 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.302 0.591 25819 299 1 . 1 1 64 64 LEU CB C 64 41.463 41.463 46.268 -4.805 25819 300 1 . 1 1 64 64 LEU H H 64 7.679 7.679 8.353 -0.674 25819 301 1 . 1 1 65 65 ALA N N 65 108.347 108.347 123.040 -14.693 25819 302 1 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.679 0.723 25819 303 1 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.874 -1.607 25819 304 1 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.485 0.070 25819 305 1 . 1 1 65 65 ALA H H 65 9.874 9.874 8.742 1.132 25819 306 1 . 1 1 66 66 SER N N 66 115.951 115.951 119.545 -3.594 25819 307 1 . 1 1 66 66 SER HA H 66 4.909 4.909 5.206 -0.297 25819 308 1 . 1 1 66 66 SER CA C 66 56.645 56.645 56.583 0.062 25819 309 1 . 1 1 66 66 SER CB C 66 63.823 63.823 64.807 -0.984 25819 310 1 . 1 1 66 66 SER H H 66 8.938 8.938 8.718 0.220 25819 311 1 . 1 1 67 67 THR N N 67 113.595 113.595 119.628 -6.033 25819 312 1 . 1 1 67 67 THR HA H 67 4.649 4.649 4.706 -0.057 25819 313 1 . 1 1 67 67 THR CA C 67 59.216 59.216 60.986 -1.770 25819 314 1 . 1 1 67 67 THR CB C 67 69.006 69.006 70.845 -1.839 25819 315 1 . 1 1 67 67 THR H H 67 8.258 8.258 8.507 -0.249 25819 316 1 . 1 1 68 68 LEU N N 68 124.152 124.152 123.627 0.525 25819 317 1 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.671 -0.315 25819 318 1 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.649 0.463 25819 319 1 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.025 0.890 25819 320 1 . 1 1 68 68 LEU H H 68 8.616 8.616 8.288 0.328 25819 321 1 . 1 1 69 69 ASN N N 69 115.821 115.821 116.493 -0.672 25819 322 1 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.867 -0.223 25819 323 1 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.760 -0.304 25819 324 1 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.374 1.932 25819 325 1 . 1 1 69 69 ASN H H 69 7.965 7.965 7.705 0.260 25819 326 1 . 1 1 70 70 GLN N N 70 114.564 114.564 117.114 -2.550 25819 327 1 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.681 -0.756 25819 328 1 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.091 0.146 25819 329 1 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.895 0.111 25819 330 1 . 1 1 70 70 GLN H H 70 8.287 8.287 8.608 -0.321 25819 331 1 . 1 1 71 71 GLY N N 71 108.006 108.006 108.754 -0.748 25819 332 1 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.950 -1.264 25819 333 1 . 1 1 71 71 GLY H H 71 8.520 8.520 8.037 0.483 25819 334 1 . 1 1 72 72 ASN N N 72 117.784 117.784 118.854 -1.070 25819 335 1 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.037 0.436 25819 336 1 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.326 -0.635 25819 337 1 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.965 -1.069 25819 338 1 . 1 1 72 72 ASN H H 72 8.420 8.420 8.348 0.072 25819 339 1 . 1 1 73 73 VAL N N 73 115.849 115.849 118.851 -3.002 25819 340 1 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.446 0.085 25819 341 1 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.904 -0.929 25819 342 1 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.279 -0.100 25819 343 1 . 1 1 73 73 VAL H H 73 8.990 8.990 8.838 0.152 25819 344 1 . 1 1 74 74 LYS N N 74 123.196 123.196 124.635 -1.439 25819 345 1 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.664 0.492 25819 346 1 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.885 -1.004 25819 347 1 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.644 -0.047 25819 348 1 . 1 1 74 74 LYS H H 74 8.716 8.716 8.590 0.126 25819 349 1 . 1 1 75 75 VAL N N 75 129.522 129.522 129.021 0.501 25819 350 1 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.805 -0.263 25819 351 1 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.616 -0.800 25819 352 1 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.710 -0.227 25819 353 1 . 1 1 75 75 VAL H H 75 8.975 8.975 8.630 0.345 25819 354 1 . 1 1 76 76 THR N N 76 120.548 120.548 122.612 -2.064 25819 355 1 . 1 1 76 76 THR HA H 76 5.066 5.066 4.798 0.268 25819 356 1 . 1 1 76 76 THR CA C 76 59.783 59.783 60.685 -0.902 25819 357 1 . 1 1 76 76 THR CB C 76 70.733 70.733 70.870 -0.137 25819 358 1 . 1 1 76 76 THR H H 76 8.650 8.650 8.809 -0.159 25819 359 1 . 1 1 77 77 ALA N N 77 126.454 126.454 127.346 -0.892 25819 360 1 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.335 -0.955 25819 361 1 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.259 -1.829 25819 362 1 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.526 -1.982 25819 363 1 . 1 1 77 77 ALA H H 77 8.674 8.674 8.411 0.263 25819 364 1 . 1 1 78 78 SER N N 78 113.568 113.568 115.759 -2.191 25819 365 1 . 1 1 78 78 SER HA H 78 5.376 5.376 4.844 0.532 25819 366 1 . 1 1 78 78 SER CA C 78 56.077 56.077 57.907 -1.830 25819 367 1 . 1 1 78 78 SER CB C 78 65.730 65.730 66.166 -0.436 25819 368 1 . 1 1 78 78 SER H H 78 8.117 8.117 8.240 -0.123 25819 369 1 . 1 1 79 79 ILE N N 79 121.071 121.071 124.280 -3.209 25819 370 1 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.443 -0.302 25819 371 1 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.084 1.040 25819 372 1 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.915 -2.106 25819 373 1 . 1 1 79 79 ILE H H 79 8.446 8.446 7.800 0.646 25819 374 1 . 1 1 80 80 GLY N N 80 117.157 117.157 115.708 1.450 25819 375 1 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.564 -0.558 25819 376 1 . 1 1 80 80 GLY H H 80 8.899 8.899 8.731 0.168 25819 377 1 . 1 1 81 81 GLY N N 81 110.715 110.715 110.587 0.128 25819 378 1 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.955 -0.577 25819 379 1 . 1 1 81 81 GLY H H 81 8.742 8.742 8.044 0.698 25819 380 1 . 1 1 82 82 ILE N N 82 124.113 124.113 121.254 2.859 25819 381 1 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.167 0.033 25819 382 1 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.206 -1.173 25819 383 1 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.595 -1.818 25819 384 1 . 1 1 82 82 ILE H H 82 8.188 8.188 7.954 0.234 25819 385 1 . 1 1 83 83 GLN N N 83 122.455 122.455 122.109 0.346 25819 386 1 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.661 0.734 25819 387 1 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.209 -1.189 25819 388 1 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.598 -0.083 25819 389 1 . 1 1 83 83 GLN H H 83 8.423 8.423 8.225 0.198 25819 390 1 . 1 1 84 84 GLY N N 84 111.437 111.437 107.607 3.830 25819 391 1 . 1 1 84 84 GLY H H 84 8.931 8.931 8.596 0.335 25819 392 1 . 1 1 85 85 SER N N 85 113.878 113.878 114.931 -1.053 25819 393 1 . 1 1 85 85 SER HA H 85 5.841 5.841 5.203 0.638 25819 394 1 . 1 1 85 85 SER CA C 85 56.264 56.264 57.184 -0.921 25819 395 1 . 1 1 85 85 SER CB C 85 66.946 66.946 66.488 0.458 25819 396 1 . 1 1 85 85 SER H H 85 8.710 8.710 8.352 0.358 25819 397 1 . 1 1 86 86 THR N N 86 115.389 115.389 115.858 -0.469 25819 398 1 . 1 1 86 86 THR HA H 86 4.772 4.772 4.657 0.115 25819 399 1 . 1 1 86 86 THR CA C 86 60.313 60.313 61.569 -1.256 25819 400 1 . 1 1 86 86 THR CB C 86 69.852 69.852 71.772 -1.920 25819 401 1 . 1 1 86 86 THR H H 86 8.854 8.854 8.831 0.023 25819 402 1 . 1 1 87 87 ASP N N 87 124.623 124.623 122.795 1.828 25819 403 1 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.964 0.472 25819 404 1 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.242 0.554 25819 405 1 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.018 -1.008 25819 406 1 . 1 1 87 87 ASP H H 87 7.953 7.953 8.432 -0.479 25819 407 1 . 1 1 88 88 PHE N N 88 123.574 123.574 124.180 -0.606 25819 408 1 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.593 -0.662 25819 409 1 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.077 0.891 25819 410 1 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.533 -0.649 25819 411 1 . 1 1 88 88 PHE H H 88 9.094 9.094 8.587 0.507 25819 412 1 . 1 1 89 89 LYS N N 89 126.965 126.965 124.844 2.121 25819 413 1 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.792 0.246 25819 414 1 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.162 -1.273 25819 415 1 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.024 -0.355 25819 416 1 . 1 1 89 89 LYS H H 89 7.269 7.269 8.393 -1.124 25819 417 1 . 1 1 90 90 VAL N N 90 126.148 126.148 128.980 -2.832 25819 418 1 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.152 -0.141 25819 419 1 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.697 -1.150 25819 420 1 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.914 -1.966 25819 421 1 . 1 1 90 90 VAL H H 90 9.086 9.086 8.568 0.518 25819 422 1 . 1 1 91 91 THR N N 91 120.505 120.505 122.446 -1.941 25819 423 1 . 1 1 91 91 THR HA H 91 4.568 4.568 4.675 -0.106 25819 424 1 . 1 1 91 91 THR CA C 91 59.348 59.348 60.500 -1.152 25819 425 1 . 1 1 91 91 THR CB C 91 68.970 68.970 70.949 -1.979 25819 426 1 . 1 1 91 91 THR H H 91 8.757 8.757 8.385 0.372 25819 stop_ save_